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

C15H10Cl3NO4 — CID 28673811

IUPAC4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO4/c1-23-13-10(17)4-8(5-11(13)18)14(20)19-12-6-7(15(21)22)2-3-9(12)16/h2-6H,1H3,(H,19,20)(H,21,22)
InChIKeyANSJQXSOLZYHAE-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.61
Rot. Bonds4

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

4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid (PubChem CID 28673811) has the molecular formula C15H10Cl3NO4 and a molecular weight of 374.61 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
PubChem CID28673811
Molecular FormulaC15H10Cl3NO4
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC Name4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO4/c1-23-13-10(17)4-8(5-11(13)18)14(20)19-12-6-7(15(21)22)2-3-9(12)16/h2-6H,1H3,(H,19,20)(H,21,22)
InChIKeyANSJQXSOLZYHAE-UHFFFAOYSA-N
XLogP4.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233
3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667648
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856
4-chloro-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid
CID 28688493
3-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 22778973
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 7375111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid (CID 28673811) is 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid is COc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is ANSJQXSOLZYHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO4/c1-23-13-10(17)4-8(5-11(13)18)14(20)19-12-6-7(15(21)22)2-3-9(12)16/h2-6H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid?
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 374.61 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 28673811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).