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

C15H12ClNO4 — CID 28934159

IUPAC4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(O)cc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)(H,20,21)
InChIKeyXGWBXVDMYPDPAM-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.92
Rot. Bonds4

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

4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid (PubChem CID 28934159) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
PubChem CID28934159
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(O)cc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)(H,20,21)
InChIKeyXGWBXVDMYPDPAM-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

4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934222
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 28666359
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28777632
2-[[2-[3-(4-butylphenyl)phenyl]acetyl]amino]-4-chlorobenzoic acid
CID 146620035
2-(3-acetamidopropanoylamino)-4-chlorobenzoic acid
CID 43170489
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid (CID 28934159) is 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid is O=C(Cc1ccc(O)cc1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is XGWBXVDMYPDPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-10-3-6-12(15(20)21)13(8-10)17-14(19)7-9-1-4-11(18)5-2-9/h1-6,8,18H,7H2,(H,17,19)(H,20,21).
What are the key properties of 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
4-chloro-2-[[2-(4-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 4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 28934159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).