[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

C24H21Cl2NO4 — CID 2367031

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2NO4/c1-27(14-17-7-3-2-4-8-17)23(28)16-31-24(29)20-9-5-6-10-22(20)30-15-18-11-12-19(25)13-21(18)26/h2-13H,14-16H2,1H3
InChIKeyXLQZYCVNGYHDLP-UHFFFAOYSA-N
MW458.34 g/mol
LogP5.39
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate (PubChem CID 2367031) has the molecular formula C24H21Cl2NO4 and a molecular weight of 458.34 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
PubChem CID2367031
Molecular FormulaC24H21Cl2NO4
Molecular Weight458.34 g/mol
Exact Mass457.08
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2NO4/c1-27(14-17-7-3-2-4-8-17)23(28)16-31-24(29)20-9-5-6-10-22(20)30-15-18-11-12-19(25)13-21(18)26/h2-13H,14-16H2,1H3
InChIKeyXLQZYCVNGYHDLP-UHFFFAOYSA-N
XLogP5.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 23822412
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 55401370
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate
CID 30557430
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55397033
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18080617
[2-[benzyl(methyl)amino]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125437
4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38724959
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315086
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577371

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate (CID 2367031) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
The InChIKey is XLQZYCVNGYHDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO4/c1-27(14-17-7-3-2-4-8-17)23(28)16-31-24(29)20-9-5-6-10-22(20)30-15-18-11-12-19(25)13-21(18)26/h2-13H,14-16H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate has a molecular weight of 458.34 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2367031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).