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

C14H8Cl3NO3 — CID 107047080

IUPAC3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3NO3/c15-7-4-5-10(16)9(6-7)13(19)18-12-8(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyPRAYBJSHICHLOX-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.60
Rot. Bonds3

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

3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid (PubChem CID 107047080) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
PubChem CID107047080
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3NO3/c15-7-4-5-10(16)9(6-7)13(19)18-12-8(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyPRAYBJSHICHLOX-UHFFFAOYSA-N
XLogP4.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
CID 63112414
3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
CID 107047518
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid (CID 107047080) is 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid is O=C(Nc1c(Cl)cccc1C(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid?
The InChIKey is PRAYBJSHICHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-7-4-5-10(16)9(6-7)13(19)18-12-8(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid?
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid has a molecular weight of 344.58 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107047080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).