methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate

C18H17ClN2O5 — CID 2988921

IUPACmethyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C18H17ClN2O5/c1-10(22)20-15-9-16(25-2)12(8-13(15)19)17(23)21-14-7-5-4-6-11(14)18(24)26-3/h4-9H,1-3H3,(H,20,22)(H,21,23)
InChIKeyDFXIFVPUZZIXGR-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.35
Rot. Bonds5

About methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate

methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate (PubChem CID 2988921) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
PubChem CID2988921
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Namemethyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C18H17ClN2O5/c1-10(22)20-15-9-16(25-2)12(8-13(15)19)17(23)21-14-7-5-4-6-11(14)18(24)26-3/h4-9H,1-3H3,(H,20,22)(H,21,23)
InChIKeyDFXIFVPUZZIXGR-UHFFFAOYSA-N
XLogP3.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]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

4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
CID 163338539
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate (CID 2988921) is methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC.
What is the InChIKey of methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate?
The InChIKey is DFXIFVPUZZIXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-10(22)20-15-9-16(25-2)12(8-13(15)19)17(23)21-14-7-5-4-6-11(14)18(24)26-3/h4-9H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate?
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate has a molecular weight of 376.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 2988921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).