[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid

C15H11F3N2O3 — CID 18543447

IUPAC[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)12-4-2-1-3-11(12)13(21)19-9-5-7-10(8-6-9)20-14(22)23/h1-8,20H,(H,19,21)(H,22,23)
InChIKeyIQEVLSYKORELON-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.05
Rot. Bonds3

About [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid

[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid (PubChem CID 18543447) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
PubChem CID18543447
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)12-4-2-1-3-11(12)13(21)19-9-5-7-10(8-6-9)20-14(22)23/h1-8,20H,(H,19,21)(H,22,23)
InChIKeyIQEVLSYKORELON-UHFFFAOYSA-N
XLogP4.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 49423447
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid (CID 18543447) is [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid is O=C(O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid?
The InChIKey is IQEVLSYKORELON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)12-4-2-1-3-11(12)13(21)19-9-5-7-10(8-6-9)20-14(22)23/h1-8,20H,(H,19,21)(H,22,23).
What are the key properties of [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid?
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid has a molecular weight of 324.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 18543447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).