methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate

C15H12Cl2N2O3 — CID 12761941

IUPACmethyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)10-4-2-3-5-12(10)18-15(21)19-13-8-9(16)6-7-11(13)17/h2-8H,1H3,(H2,18,19,21)
InChIKeyTUXHTBOKNMEYAJ-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.42
Rot. Bonds3

About methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate

methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate (PubChem CID 12761941) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
PubChem CID12761941
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Namemethyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)10-4-2-3-5-12(10)18-15(21)19-13-8-9(16)6-7-11(13)17/h2-8H,1H3,(H2,18,19,21)
InChIKeyTUXHTBOKNMEYAJ-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-[(2,5-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 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 55404987
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[(3,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 1294805
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate
CID 108500944

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate (CID 12761941) is methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate?
The InChIKey is TUXHTBOKNMEYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-14(20)10-4-2-3-5-12(10)18-15(21)19-13-8-9(16)6-7-11(13)17/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate?
methyl 2-[(2,5-dichlorophenyl)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-[(2,5-dichlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 12761941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).