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

C15H9Cl4NO4 — CID 28671927

IUPAC2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl4NO4/c1-24-13-8(2-6(16)3-11(13)19)14(21)20-12-4-7(15(22)23)9(17)5-10(12)18/h2-5H,1H3,(H,20,21)(H,22,23)
InChIKeyAKJYJLURNVXPAR-UHFFFAOYSA-N
MW409.05 g/mol
LogP5.26
Rot. Bonds4

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

2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid (PubChem CID 28671927) has the molecular formula C15H9Cl4NO4 and a molecular weight of 409.05 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid
PubChem CID28671927
Molecular FormulaC15H9Cl4NO4
Molecular Weight409.05 g/mol
Exact Mass406.93
IUPAC Name2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl4NO4/c1-24-13-8(2-6(16)3-11(13)19)14(21)20-12-4-7(15(22)23)9(17)5-10(12)18/h2-5H,1H3,(H,20,21)(H,22,23)
InChIKeyAKJYJLURNVXPAR-UHFFFAOYSA-N
XLogP5.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.05
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
CID 2993805
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
2-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 4506814
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
2-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid
CID 3249221
N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 22778979
3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 3966060
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803307
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid (CID 28671927) is 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid is COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid?
The InChIKey is AKJYJLURNVXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NO4/c1-24-13-8(2-6(16)3-11(13)19)14(21)20-12-4-7(15(22)23)9(17)5-10(12)18/h2-5H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid?
2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid has a molecular weight of 409.05 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3,5-dichloro-2-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 28671927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).