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

C9H8ClNO4 — CID 70643359

IUPAC3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid
SMILESO=C(CO)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C9H8ClNO4/c10-6-3-5(9(14)15)1-2-7(6)11-8(13)4-12/h1-3,12H,4H2,(H,11,13)(H,14,15)
InChIKeyYSBHJTJXKAREJE-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.97
Rot. Bonds3

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

3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid (PubChem CID 70643359) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid
PubChem CID70643359
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid
SMILESO=C(CO)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C9H8ClNO4/c10-6-3-5(9(14)15)1-2-7(6)11-8(13)4-12/h1-3,12H,4H2,(H,11,13)(H,14,15)
InChIKeyYSBHJTJXKAREJE-UHFFFAOYSA-N
XLogP0.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80722030
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
3-chloro-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271626
4-[(6-amino-4,4-dimethylhexanoyl)amino]-3-chlorobenzoic acid
CID 65291054
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
4-(but-2-enoylamino)-3-chlorobenzoic acid
CID 77034162
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
3-chloro-4-(propylamino)benzoic acid
CID 63089109
3-chloro-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214609
3-chloro-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]benzoic acid
CID 107866980
3-chloro-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 115986669
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid?
The IUPAC name of 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid (CID 70643359) is 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid is O=C(CO)Nc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid?
The InChIKey is YSBHJTJXKAREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c10-6-3-5(9(14)15)1-2-7(6)11-8(13)4-12/h1-3,12H,4H2,(H,11,13)(H,14,15).
What are the key properties of 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid?
3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid has a molecular weight of 229.62 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-hydroxyacetyl)amino]benzoic acid is sourced from PubChem (CID 70643359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).