N-phenyl-N-(trifluoromethylcarbamoyl)benzamide

C15H11F3N2O2 — CID 70182203

IUPACN-phenyl-N-(trifluoromethylcarbamoyl)benzamide
SMILESO=C(NC(F)(F)F)N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)19-14(22)20(12-9-5-2-6-10-12)13(21)11-7-3-1-4-8-11/h1-10H,(H,19,22)
InChIKeyVDOUHZCHJPHKPL-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.56
Rot. Bonds2

About N-phenyl-N-(trifluoromethylcarbamoyl)benzamide

N-phenyl-N-(trifluoromethylcarbamoyl)benzamide (PubChem CID 70182203) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-phenyl-N-(trifluoromethylcarbamoyl)benzamide.

Molecular Properties

Compound NameN-phenyl-N-(trifluoromethylcarbamoyl)benzamide
PubChem CID70182203
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-phenyl-N-(trifluoromethylcarbamoyl)benzamide
SMILESO=C(NC(F)(F)F)N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)19-14(22)20(12-9-5-2-6-10-12)13(21)11-7-3-1-4-8-11/h1-10H,(H,19,22)
InChIKeyVDOUHZCHJPHKPL-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 171577154
N-(2-oxo-2-phenylacetyl)-N-phenylbenzamide
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N-(trifluoromethylcarbamoyl)benzamide
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N-phenyl-N-propanoylbenzamide
CID 13029157
N-(ethylcarbamothioyl)-N-phenylbenzamide
CID 57059223
4-[acetyl(benzoyl)amino]benzoic acid
CID 138333706
N-(2,2-dimethyl-1-phenylphosphanylidenepropyl)-N-phenylbenzamide
CID 134920323
N-(hydrazinylcarbamoyl)-N-(trifluoromethyl)benzamide
CID 151979158
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
Lithium benzoate, 99%
CID 57451198
N',N'-dibenzamidobenzohydrazide
CID 91211036
N,N'-dimethyl-N'-(trifluoromethyl)benzohydrazide
CID 174890331

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(trifluoromethylcarbamoyl)benzamide?
The IUPAC name of N-phenyl-N-(trifluoromethylcarbamoyl)benzamide (CID 70182203) is N-phenyl-N-(trifluoromethylcarbamoyl)benzamide.
What is the SMILES notation for N-phenyl-N-(trifluoromethylcarbamoyl)benzamide?
The canonical SMILES for N-phenyl-N-(trifluoromethylcarbamoyl)benzamide is O=C(NC(F)(F)F)N(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(trifluoromethylcarbamoyl)benzamide?
The InChIKey is VDOUHZCHJPHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)19-14(22)20(12-9-5-2-6-10-12)13(21)11-7-3-1-4-8-11/h1-10H,(H,19,22).
What are the key properties of N-phenyl-N-(trifluoromethylcarbamoyl)benzamide?
N-phenyl-N-(trifluoromethylcarbamoyl)benzamide has a molecular weight of 308.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(trifluoromethylcarbamoyl)benzamide is sourced from PubChem (CID 70182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).