2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid

C16H12Cl3NO4 — CID 87727855

IUPAC2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(Cl)c(C(=O)NOCc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-8-6-11(16(22)23)14(19)12(13(8)18)15(21)20-24-7-9-2-4-10(17)5-3-9/h2-6H,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyWEJMYUVEMZTBQQ-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.52
Rot. Bonds5

About 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid

2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid (PubChem CID 87727855) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid
PubChem CID87727855
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(Cl)c(C(=O)NOCc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-8-6-11(16(22)23)14(19)12(13(8)18)15(21)20-24-7-9-2-4-10(17)5-3-9/h2-6H,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyWEJMYUVEMZTBQQ-UHFFFAOYSA-N
XLogP4.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methoxy]-3-methylurea
CID 87765732
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
CID 91681758
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
3,6-dichloro-N-phenylmethoxy-1-benzothiophene-2-carboxamide
CID 16639718
4-[(4-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 65130569
2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
CID 9227392

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid?
The IUPAC name of 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid (CID 87727855) is 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid.
What is the SMILES notation for 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid?
The canonical SMILES for 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid is Cc1cc(C(=O)O)c(Cl)c(C(=O)NOCc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid?
The InChIKey is WEJMYUVEMZTBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-8-6-11(16(22)23)14(19)12(13(8)18)15(21)20-24-7-9-2-4-10(17)5-3-9/h2-6H,7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid?
2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid has a molecular weight of 388.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(4-chlorophenyl)methoxycarbamoyl]-5-methylbenzoic acid is sourced from PubChem (CID 87727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).