3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C21H15F3N2O2 — CID 151068564

IUPAC3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-10-18(11-9-17)26-20(28)16-3-1-2-15(12-16)13-4-6-14(7-5-13)19(25)27/h1-12H,(H2,25,27)(H,26,28)
InChIKeyMHQIKAIYLFICDG-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.72
Rot. Bonds4

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

3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 151068564) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID151068564
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-10-18(11-9-17)26-20(28)16-3-1-2-15(12-16)13-4-6-14(7-5-13)19(25)27/h1-12H,(H2,25,27)(H,26,28)
InChIKeyMHQIKAIYLFICDG-UHFFFAOYSA-N
XLogP4.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carbamoylphenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 139392279
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 151068564) is 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide is NC(=O)c1ccc(-c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MHQIKAIYLFICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-10-18(11-9-17)26-20(28)16-3-1-2-15(12-16)13-4-6-14(7-5-13)19(25)27/h1-12H,(H2,25,27)(H,26,28).
What are the key properties of 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 384.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 151068564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).