N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide

C23H16F6N2O2 — CID 87595402

IUPACN-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F6N2O2/c1-13-5-4-8-18(30-21(33)16-6-2-3-7-17(16)23(27,28)29)19(13)31-20(32)14-9-11-15(12-10-14)22(24,25)26/h2-12H,1H3,(H,30,33)(H,31,32)
InChIKeyKNVHCVGVSBYAPS-UHFFFAOYSA-N
MW466.38 g/mol
LogP6.54
Rot. Bonds4

About N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide

N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 87595402) has the molecular formula C23H16F6N2O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID87595402
Molecular FormulaC23H16F6N2O2
Molecular Weight466.38 g/mol
Exact Mass466.11
IUPAC NameN-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F6N2O2/c1-13-5-4-8-18(30-21(33)16-6-2-3-7-17(16)23(27,28)29)19(13)31-20(32)14-9-11-15(12-10-14)22(24,25)26/h2-12H,1H3,(H,30,33)(H,31,32)
InChIKeyKNVHCVGVSBYAPS-UHFFFAOYSA-N
XLogP6.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595403
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-[3-benzamido-6-methyl-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 87595404
3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 70130011
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide (CID 87595402) is N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide is Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KNVHCVGVSBYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N2O2/c1-13-5-4-8-18(30-21(33)16-6-2-3-7-17(16)23(27,28)29)19(13)31-20(32)14-9-11-15(12-10-14)22(24,25)26/h2-12H,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide?
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 466.38 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 87595402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).