| CAS Number | 586976-24-1 |
| Catalog Number | AG00E9NF(AGN-PC-0N2D3Y) |
| Chemical Name | CTPB |
| IUPAC Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-pentadecylbenzamide |
| InChI | InChI=1S/C31H43ClF3NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-24-19-17-20-28(38-4-2)29(24)30(37)36-25-21-22-27(32)26(23-25)31(33,34)35/h17,19-23H,3-16,18H2,1-2H3,(H,36,37) |
| InChI Key | OYBMVMAXKOGYDC-UHFFFAOYSA-N |
| MDL Number | MFCD08702707 |
| Molecular Formula | C31H43ClF3NO2 |
| Molecular Weight | 554.1268 |
| SMILES | ClC1=C(C=C(C=C1)NC(C1=C(C=CC=C1CCCCCCCCCCCCCCC)OCC)=O)C(F)(F)F |
| Synonyms | CTPB,
586976-24-1,
CHEMBL3774466,
SCHEMBL998270,
CHEBI:90203,
CTK8E7808,
DTXSID20437930,
BDBM50151652,
ZINC100306346,
HY-124960,
RT-012107,
CS-0089747,
BRD-K43234716-001-01-2,
n-(4-chloro-3-trifluoromethyl-phenyl)-2-ethoxy-6-pentadecyl-benzamide,
N-[3-(Trifluoromethyl)-4-chlorophenyl]-2-ethoxy-6-pentadecylbenzamide,
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2-ETHOXY-6-PENTADECYLBENZAMIDE,
CID10311918,
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-pentadecyl,
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-pentadecyl-benzamide,
|
| Complexity | 633 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 553.293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 554.135g/mol |
| Monoisotopic Mass | 553.293g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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