methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate

C15H12Cl2N2O3 — CID 1249532

IUPACmethyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)12-8-11(5-6-13(12)17)19-15(21)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,18,19,21)
InChIKeyKJPATKMEQYAGFH-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.42
Rot. Bonds3

About methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate

methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate (PubChem CID 1249532) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate
PubChem CID1249532
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Namemethyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)12-8-11(5-6-13(12)17)19-15(21)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,18,19,21)
InChIKeyKJPATKMEQYAGFH-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-chloro-5-[(3-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate (CID 1249532) is methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate is COC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate?
The InChIKey is KJPATKMEQYAGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-14(20)12-8-11(5-6-13(12)17)19-15(21)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate?
methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate has a molecular weight of 339.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(3-chlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 1249532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).