5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid

C16H12Cl3NO4 — CID 2221534

IUPAC5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-2-24-14-11(18)5-8(6-12(14)19)15(21)20-13-4-3-9(17)7-10(13)16(22)23/h3-7H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyBGJKWMLGNZZFAK-UHFFFAOYSA-N
MW388.63 g/mol
LogP5.00
Rot. Bonds5

About 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid

5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid (PubChem CID 2221534) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
PubChem CID2221534
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-2-24-14-11(18)5-8(6-12(14)19)15(21)20-13-4-3-9(17)7-10(13)16(22)23/h3-7H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyBGJKWMLGNZZFAK-UHFFFAOYSA-N
XLogP5.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(3,5-dichloro-4-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

5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
CID 2977495
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid (CID 2221534) is 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid is CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
The InChIKey is BGJKWMLGNZZFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-2-24-14-11(18)5-8(6-12(14)19)15(21)20-13-4-3-9(17)7-10(13)16(22)23/h3-7H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid has a molecular weight of 388.63 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 2221534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).