5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid

C14H8Cl3NO3 — CID 10427632

IUPAC5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl3NO3/c15-7-4-5-11(8(6-7)14(20)21)18-13(19)12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyCTULICBBIARLFX-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.60
Rot. Bonds3

About 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid

5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid (PubChem CID 10427632) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
PubChem CID10427632
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl3NO3/c15-7-4-5-11(8(6-7)14(20)21)18-13(19)12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyCTULICBBIARLFX-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

2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
CID 43522632
5-chloro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214075
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid (CID 10427632) is 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid is O=C(O)c1cc(Cl)ccc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid?
The InChIKey is CTULICBBIARLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-7-4-5-11(8(6-7)14(20)21)18-13(19)12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid?
5-chloro-2-[(2,6-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 5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 10427632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).