3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid

C16H13Cl2NO4 — CID 11291166

IUPAC3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H13Cl2NO4/c17-10-7-12(15(22)13(18)8-10)16(23)19-11-4-1-9(2-5-11)3-6-14(20)21/h1-2,4-5,7-8,22H,3,6H2,(H,19,23)(H,20,21)
InChIKeyHYABFTDNISFGNX-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.97
Rot. Bonds5

About 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid

3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid (PubChem CID 11291166) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
PubChem CID11291166
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C16H13Cl2NO4/c17-10-7-12(15(22)13(18)8-10)16(23)19-11-4-1-9(2-5-11)3-6-14(20)21/h1-2,4-5,7-8,22H,3,6H2,(H,19,23)(H,20,21)
InChIKeyHYABFTDNISFGNX-UHFFFAOYSA-N
XLogP3.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615
sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
CID 25217040
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
3,5-dichloro-N-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]-2-hydroxybenzamide
CID 162650090
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
3-[4-(carboniodidoylamino)phenyl]propanoic acid
CID 145154280
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 142662859
N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
CID 162656930
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 11270147

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid (CID 11291166) is 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid?
The InChIKey is HYABFTDNISFGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c17-10-7-12(15(22)13(18)8-10)16(23)19-11-4-1-9(2-5-11)3-6-14(20)21/h1-2,4-5,7-8,22H,3,6H2,(H,19,23)(H,20,21).
What are the key properties of 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid?
3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid has a molecular weight of 354.19 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 11291166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).