N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide

C21H16F3NO — CID 2121231

IUPACN-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3NO/c1-14-6-2-5-9-19(14)25-20(26)18-8-4-3-7-17(18)15-10-12-16(13-11-15)21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyQLXREQJZWFICGL-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.93
Rot. Bonds3

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

N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 2121231) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID2121231
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3NO/c1-14-6-2-5-9-19(14)25-20(26)18-8-4-3-7-17(18)15-10-12-16(13-11-15)21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyQLXREQJZWFICGL-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methoxy-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 90737113
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
3-methyl-N-[2-oxo-2-(pentan-3-ylamino)-1-phenylethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 91409257
N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
2-[3-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 23130330
4-methoxy-N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 60537647
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 2121231) is N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1ccccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QLXREQJZWFICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-14-6-2-5-9-19(14)25-20(26)18-8-4-3-7-17(18)15-10-12-16(13-11-15)21(22,23)24/h2-13H,1H3,(H,25,26).
What are the key properties of N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 355.36 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2121231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).