methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate

C17H16Cl2N2O5 — CID 1296628

IUPACmethyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O5/c1-24-13-7-9(16(22)26-3)12(8-14(13)25-2)21-17(23)20-11-6-4-5-10(18)15(11)19/h4-8H,1-3H3,(H2,20,21,23)
InChIKeyNVGQCHIFJJXHFG-UHFFFAOYSA-N
MW399.23 g/mol
LogP4.44
Rot. Bonds5

About methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate

methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate (PubChem CID 1296628) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
PubChem CID1296628
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Namemethyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O5/c1-24-13-7-9(16(22)26-3)12(8-14(13)25-2)21-17(23)20-11-6-4-5-10(18)15(11)19/h4-8H,1-3H3,(H2,20,21,23)
InChIKeyNVGQCHIFJJXHFG-UHFFFAOYSA-N
XLogP4.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate 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

4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 2-[(2,3-dichlorophenyl)carbamoyloxy]benzoate
CID 3269108
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 42963207
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 2168029
methyl 5-tert-butyl-3-[(2,3-dichlorophenyl)carbamoylamino]furan-2-carboxylate
CID 10156896
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate (CID 1296628) is methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
The InChIKey is NVGQCHIFJJXHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-24-13-7-9(16(22)26-3)12(8-14(13)25-2)21-17(23)20-11-6-4-5-10(18)15(11)19/h4-8H,1-3H3,(H2,20,21,23).
What are the key properties of methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate has a molecular weight of 399.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 1296628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).