4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid

C14H8Cl3NO3 — CID 10382905

IUPAC4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl3NO3/c15-8-2-3-9(14(20)21)12(6-8)18-13(19)7-1-4-10(16)11(17)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyJOIGPHFFNMZZHR-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid

4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid (PubChem CID 10382905) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
PubChem CID10382905
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl3NO3/c15-8-2-3-9(14(20)21)12(6-8)18-13(19)7-1-4-10(16)11(17)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyJOIGPHFFNMZZHR-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

4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
CID 114326185
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
4-chloro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
CID 45341431
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 804402
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
CID 43354294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid (CID 10382905) is 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid?
The InChIKey is JOIGPHFFNMZZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-8-2-3-9(14(20)21)12(6-8)18-13(19)7-1-4-10(16)11(17)5-7/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid?
4-chloro-2-[(3,4-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 4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 10382905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).