2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

C22H17F3N2O2 — CID 9172409

IUPAC2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O2/c1-14-7-6-8-15(13-14)20(28)26-18-11-4-2-9-16(18)21(29)27-19-12-5-3-10-17(19)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyKYQOHPPOUQHMJM-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.52
Rot. Bonds4

About 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 9172409) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID9172409
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O2/c1-14-7-6-8-15(13-14)20(28)26-18-11-4-2-9-16(18)21(29)27-19-12-5-3-10-17(19)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyKYQOHPPOUQHMJM-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
CID 78775101
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 7060501
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[2-(methylamino)propyl]-2-[(3-methylbenzoyl)amino]benzamide;hydrochloride
CID 120827166
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 9172409) is 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KYQOHPPOUQHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-14-7-6-8-15(13-14)20(28)26-18-11-4-2-9-16(18)21(29)27-19-12-5-3-10-17(19)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 398.38 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 9172409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).