2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid

C16H14ClNO4 — CID 28672085

IUPAC2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C16H14ClNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-11-6-7-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyCRVHSMWEWNZKMW-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid

2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid (PubChem CID 28672085) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
PubChem CID28672085
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C16H14ClNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-11-6-7-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyCRVHSMWEWNZKMW-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic 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

2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
CID 28675057
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid (CID 28672085) is 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid is CCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid?
The InChIKey is CRVHSMWEWNZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-11-6-7-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid?
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid has a molecular weight of 319.74 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 28672085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).