methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate

C15H11Cl3N2O3 — CID 108992420

IUPACmethyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl3N2O3/c1-23-14(21)8-2-4-10(17)13(6-8)20-15(22)19-12-5-3-9(16)7-11(12)18/h2-7H,1H3,(H2,19,20,22)
InChIKeyMNBPDWWVCSLDIP-UHFFFAOYSA-N
MW373.62 g/mol
LogP5.08
Rot. Bonds3

About methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate

methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate (PubChem CID 108992420) has the molecular formula C15H11Cl3N2O3 and a molecular weight of 373.62 g/mol. Its IUPAC name is methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
PubChem CID108992420
Molecular FormulaC15H11Cl3N2O3
Molecular Weight373.62 g/mol
Exact Mass371.98
IUPAC Namemethyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl3N2O3/c1-23-14(21)8-2-4-10(17)13(6-8)20-15(22)19-12-5-3-9(16)7-11(12)18/h2-7H,1H3,(H2,19,20,22)
InChIKeyMNBPDWWVCSLDIP-UHFFFAOYSA-N
XLogP5.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate 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

methyl 4-chloro-3-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987118
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
methyl 4-[[3-(2,4-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956377
methyl 3-chloro-4-[(2,2-dichloroacetyl)amino]benzoate
CID 152656748
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
CID 110706425
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate (CID 108992420) is methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
The InChIKey is MNBPDWWVCSLDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O3/c1-23-14(21)8-2-4-10(17)13(6-8)20-15(22)19-12-5-3-9(16)7-11(12)18/h2-7H,1H3,(H2,19,20,22).
What are the key properties of methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate?
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate has a molecular weight of 373.62 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).