3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid

C15H12ClNO4 — CID 80722030

IUPAC3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccccc1O)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H12ClNO4/c16-11-7-10(15(20)21)5-6-12(11)17-14(19)8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeyPIMVRWLWFCPOIQ-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.92
Rot. Bonds4

About 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid

3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid (PubChem CID 80722030) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
PubChem CID80722030
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccccc1O)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H12ClNO4/c16-11-7-10(15(20)21)5-6-12(11)17-14(19)8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeyPIMVRWLWFCPOIQ-UHFFFAOYSA-N
XLogP2.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80744121
N-(4-bromo-2-chlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741026
3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid
CID 70643359
3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 63117383
2-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]benzoic acid
CID 104601404
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
CID 103869601
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
CID 107265319
3-chloro-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271626

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid (CID 80722030) is 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid is O=C(Cc1ccccc1O)Nc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is PIMVRWLWFCPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-7-10(15(20)21)5-6-12(11)17-14(19)8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)(H,20,21).
What are the key properties of 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 305.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 80722030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).