3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride

C14H11Cl2NO3 — CID 67246588

IUPAC3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H10ClNO3.ClH/c15-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(8-10)14(18)19;/h1-8H,(H,16,17)(H,18,19);1H
InChIKeyKWZOIKOZZRYPOE-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.71
Rot. Bonds3

About 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride

3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride (PubChem CID 67246588) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
PubChem CID67246588
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H10ClNO3.ClH/c15-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(8-10)14(18)19;/h1-8H,(H,16,17)(H,18,19);1H
InChIKeyKWZOIKOZZRYPOE-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride (CID 67246588) is 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride is Cl.O=C(O)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride?
The InChIKey is KWZOIKOZZRYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3.ClH/c15-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(8-10)14(18)19;/h1-8H,(H,16,17)(H,18,19);1H.
What are the key properties of 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride?
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride has a molecular weight of 312.15 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride is sourced from PubChem (CID 67246588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).