2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide

C21H17F3N2O — CID 21179492

IUPAC2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H17F3N2O/c1-14-5-4-6-17(13-14)25-19-8-3-2-7-18(19)20(27)26-16-11-9-15(10-12-16)21(22,23)24/h2-13,25H,1H3,(H,26,27)
InChIKeyNVXUXKJRSCXCRV-UHFFFAOYSA-N
MW370.37 g/mol
LogP6.01
Rot. Bonds4

About 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide

2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 21179492) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID21179492
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H17F3N2O/c1-14-5-4-6-17(13-14)25-19-8-3-2-7-18(19)20(27)26-16-11-9-15(10-12-16)21(22,23)24/h2-13,25H,1H3,(H,26,27)
InChIKeyNVXUXKJRSCXCRV-UHFFFAOYSA-N
XLogP6.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2321982
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 21179492) is 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide is Cc1cccc(Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NVXUXKJRSCXCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-14-5-4-6-17(13-14)25-19-8-3-2-7-18(19)20(27)26-16-11-9-15(10-12-16)21(22,23)24/h2-13,25H,1H3,(H,26,27).
What are the key properties of 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide?
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 21179492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).