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

C15H12ClNO4 — CID 43809174

IUPAC4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C15H12ClNO4/c16-11-7-6-10(15(20)21)8-12(11)17-14(19)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)
InChIKeyREQNCGHWPLXNEZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.71
Rot. Bonds4

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

4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid (PubChem CID 43809174) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
PubChem CID43809174
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C15H12ClNO4/c16-11-7-6-10(15(20)21)8-12(11)17-14(19)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)
InChIKeyREQNCGHWPLXNEZ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
CID 103869601
4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141007973
3-(tert-butylcarbamoylamino)-4-chlorobenzoic acid
CID 28786246
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
4-chloro-3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62838559
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
N-(2-acetamido-4-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 111446363
4-chloro-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 61189022
4-chloro-3-(2-hydroxyanilino)benzoic acid
CID 82537358
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 82130440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid (CID 43809174) is 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)C(O)c2ccccc2)c1.
What is the InChIKey of 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid?
The InChIKey is REQNCGHWPLXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-7-6-10(15(20)21)8-12(11)17-14(19)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21).
What are the key properties of 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid?
4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid has a molecular weight of 305.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 43809174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).