3-[(4-chlorobenzoyl)amino]benzoic acid

C14H10ClNO3 — CID 587107

IUPAC3-[(4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClNO3/c15-11-6-4-9(5-7-11)13(17)16-12-3-1-2-10(8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyUHVKLYDBKWHXJN-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.29
Rot. Bonds3

About 3-[(4-chlorobenzoyl)amino]benzoic acid

3-[(4-chlorobenzoyl)amino]benzoic acid (PubChem CID 587107) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]benzoic acid
PubChem CID587107
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name3-[(4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClNO3/c15-11-6-4-9(5-7-11)13(17)16-12-3-1-2-10(8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyUHVKLYDBKWHXJN-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Meclofenamic Acid
CID 4037
Tolfenamic Acid
CID 610479
Phthalanilic acid
CID 78458
2-(Benzoylamino)benzoic acid
CID 68482
3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
3'-Methylphthalanilic acid
CID 6821
3-Amino-4-chlorobenzoic acid
CID 76092
3-{[(3,4-Dichlorophenyl)carbamoyl]amino}benzoic acid
CID 4102909
3-Acetamidobenzoic acid
CID 48847
2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
CID 6438389
1-(2-Carboxyphenyl)-3-(3-chlorophenyl)urea
CID 853792
Lobenzarit
CID 3946

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]benzoic acid (CID 587107) is 3-[(4-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]benzoic acid?
The InChIKey is UHVKLYDBKWHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-11-6-4-9(5-7-11)13(17)16-12-3-1-2-10(8-12)14(18)19/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-chlorobenzoyl)amino]benzoic acid?
3-[(4-chlorobenzoyl)amino]benzoic acid has a molecular weight of 275.69 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 587107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).