| CAS Number | 915087-26-2 |
| Catalog Number | AG00IGQI(AGN-PC-0WD2DK) |
| Chemical Name | 4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide |
| IUPAC Name | 4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C13H14FN3O/c1-16-12(18)10-4-3-9(7-11(10)14)17-13(8-15)5-2-6-13/h3-4,7,17H,2,5-6H2,1H3,(H,16,18) |
| InChI Key | AAIGLIMPDRXLFW-UHFFFAOYSA-N |
| MDL Number | MFCD09909370 |
| Molecular Formula | C13H14FN3O |
| Molecular Weight | 247.2682 |
| SMILES | O=C(NC)C1=CC=C(NC2(C#N)CCC2)C=C1F |
| Synonyms | 915087-26-2,
4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide,
4-(1-CYANOCYCLOBUTYLAMINO)-2-FLUORO-N-METHYLBENZAMIDE,
4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide,
SCHEMBL547834,
DTXSID30657627,
AAIGLIMPDRXLFW-UHFFFAOYSA-N,
AB3592,
MFCD09909370,
ZINC95093221,
AKOS016846112,
AJ-132315,
AX8255737,
A1-10735,
N-methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide,
4-(1-Cyano-cyclobutylamino)-2-fluoro-N-methyl-benzamide,
n-methyl-4-(1 -cyanocyclobutylamino)-2-fluorobenzamide,
Benzamide,4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methyl-,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.273g/mol |
| Monoisotopic Mass | 247.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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