methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate

C19H19ClN2O4 — CID 113176222

IUPACmethyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C19H19ClN2O4/c1-13(23)22(16-8-5-7-14(10-16)19(25)26-2)12-18(24)21-11-15-6-3-4-9-17(15)20/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyPZRIOAZKUAIFSI-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.80
Rot. Bonds6

About methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate

methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate (PubChem CID 113176222) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
PubChem CID113176222
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Namemethyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C19H19ClN2O4/c1-13(23)22(16-8-5-7-14(10-16)19(25)26-2)12-18(24)21-11-15-6-3-4-9-17(15)20/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyPZRIOAZKUAIFSI-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]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

2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176223
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
methyl 3-[acetyl-[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 113176290
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
methyl 3-[acetyl-[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 113176285
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate (CID 113176222) is methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)c1.
What is the InChIKey of methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
The InChIKey is PZRIOAZKUAIFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13(23)22(16-8-5-7-14(10-16)19(25)26-2)12-18(24)21-11-15-6-3-4-9-17(15)20/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate?
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).