AG002XQ1

292135-78-5 | Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-

AG002XQ1

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CAS Number	292135-78-5
Catalog Number	AG002XQ1(AGN-PC-0R4W03)
Chemical Name	Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-
IUPAC Name	3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-4-(difluoromethoxy)benzamide
InChI	InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17,25H,1-2,8H2
InChI Key	KHXXMSARUQULRI-UHFFFAOYSA-N
MDL Number	MFCD04112984
Molecular Formula	C17H14Cl2F2N2O4
Molecular Weight	419.2069
SMILES	C1(CC1)COC=1C=C(C(=O)NC2=C(C=[N+](C=C2Cl)[O-])Cl)C=CC1OC(F)F
UNII	F08MQ6CZCS
Synonyms	3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)benzamide, roflumilast N-oxide, roflumilast N-oxide, 292135-78-5, 3,5-Dichloro-4-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)pyridine 1-oxide, Daxas N-oxide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-4-(difluoromethoxy)benzamide, UNII-F08MQ6CZCS, F08MQ6CZCS, SCHEMBL185643, CHEMBL4082392, SCHEMBL20756169, DTXSID80433059, PCGSQNPMMSALEJ-UHFFFAOYSA-N, MFCD04112984, ZINC77312930, 3, 5-dichloro-4-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)pyridine 1-oxide, 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)benzamide, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-, AK00897885, FT-0674452, A1-04252, 3,5-Dichloro-4-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)pyridine1-oxide, N-(3,5-Dichloro-1-oxopyridin-4-yl)-4-difluoromethoxy-3-cyclopropyl-methoxybenzamide, n-(3.5-dichloro-1-oxido-pyridin-4-yl)-4-difluoromethoxy-3-cyclopropylmethoxybenzamide, ACN-054355, CID9940999, C517734, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-hydroxy-pyridin-4-ylidene)-4-(difluoromethoxy)benzamide,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.03g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	419.206g/mol
Monoisotopic Mass	418.03g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	71.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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