2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

C21H15FN2O4 — CID 982173

IUPAC2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H15FN2O4/c22-13-9-11-14(12-10-13)23-20(26)17-7-3-4-8-18(17)24-19(25)15-5-1-2-6-16(15)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyISPHKUCWIYQPKV-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.03
Rot. Bonds5

About 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 982173) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID982173
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C21H15FN2O4/c22-13-9-11-14(12-10-13)23-20(26)17-7-3-4-8-18(17)24-19(25)15-5-1-2-6-16(15)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyISPHKUCWIYQPKV-UHFFFAOYSA-N
XLogP4.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
CID 4063342
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
CID 71835143

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (CID 982173) is 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is ISPHKUCWIYQPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c22-13-9-11-14(12-10-13)23-20(26)17-7-3-4-8-18(17)24-19(25)15-5-1-2-6-16(15)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 378.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 982173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).