[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C20H15Cl2NO5 — CID 55397064

IUPAC[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15Cl2NO5/c1-23(10-12-6-7-14(21)15(22)8-12)19(25)11-27-20(26)18-9-16(24)13-4-2-3-5-17(13)28-18/h2-9H,10-11H2,1H3
InChIKeyAROXITKOIJMWPZ-UHFFFAOYSA-N
MW420.25 g/mol
LogP3.92
Rot. Bonds5

About [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 55397064) has the molecular formula C20H15Cl2NO5 and a molecular weight of 420.25 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID55397064
Molecular FormulaC20H15Cl2NO5
Molecular Weight420.25 g/mol
Exact Mass419.03
IUPAC Name[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15Cl2NO5/c1-23(10-12-6-7-14(21)15(22)8-12)19(25)11-27-20(26)18-9-16(24)13-4-2-3-5-17(13)28-18/h2-9H,10-11H2,1H3
InChIKeyAROXITKOIJMWPZ-UHFFFAOYSA-N
XLogP3.92
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate 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-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289386
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 34089285
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343700
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
2-methylpropyl 4-oxochromene-2-carboxylate
CID 11837284
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551738
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 35188399
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 27867956
2,2,2-trichloroethyl 4-oxochromene-2-carboxylate
CID 901150
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 34653525
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55936254
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 34700977

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 55397064) is [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is AROXITKOIJMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO5/c1-23(10-12-6-7-14(21)15(22)8-12)19(25)11-27-20(26)18-9-16(24)13-4-2-3-5-17(13)28-18/h2-9H,10-11H2,1H3.
What are the key properties of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 420.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 55397064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).