[2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate

C17H13ClN2O6 — CID 2405263

IUPAC[2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
SMILESCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13ClN2O6/c1-19-15(21)9-26-17(23)12-5-3-2-4-11(12)16(22)10-6-7-13(18)14(8-10)20(24)25/h2-8H,9H2,1H3,(H,19,21)
InChIKeyQFINDJNHLVJGHR-UHFFFAOYSA-N
MW376.75 g/mol
LogP2.38
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate

[2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate (PubChem CID 2405263) has the molecular formula C17H13ClN2O6 and a molecular weight of 376.75 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
PubChem CID2405263
Molecular FormulaC17H13ClN2O6
Molecular Weight376.75 g/mol
Exact Mass376.05
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
SMILESCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13ClN2O6/c1-19-15(21)9-26-17(23)12-5-3-2-4-11(12)16(22)10-6-7-13(18)14(8-10)20(24)25/h2-8H,9H2,1H3,(H,19,21)
InChIKeyQFINDJNHLVJGHR-UHFFFAOYSA-N
XLogP2.38
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)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-(3-Cyanoanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2350847
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2402478
[2-(2,6-Dichloro-3-methylanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2405965
2-Oxo-2-(propylamino)ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2407399
2-[(4-Chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester
CID 3904314
(2-Oxooxolan-3-yl) 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 4142008
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 4234768
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-amino-4-chlorobenzoate
CID 2376915
[2-(Cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 2391082
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2412928
Methyl 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 14994660
[2-(Cyclopropylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2097287

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate (CID 2405263) is [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate is CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate?
The InChIKey is QFINDJNHLVJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O6/c1-19-15(21)9-26-17(23)12-5-3-2-4-11(12)16(22)10-6-7-13(18)14(8-10)20(24)25/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate?
[2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate has a molecular weight of 376.75 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate is sourced from PubChem (CID 2405263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).