3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid

C14H9Cl2NO3 — CID 43452757

IUPAC3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H9Cl2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyWSGSTUOWBDSICL-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.94
Rot. Bonds3

About 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid

3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid (PubChem CID 43452757) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
PubChem CID43452757
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H9Cl2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyWSGSTUOWBDSICL-UHFFFAOYSA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,5-dichlorophenyl)carbamoyl]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

3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
CID 81362091
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107688176
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
N-(3,5-dichlorophenyl)-2,6-dihydroxybenzamide
CID 107688954
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
CID 106703565
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid (CID 43452757) is 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid?
The InChIKey is WSGSTUOWBDSICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid?
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid has a molecular weight of 310.14 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).