N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide

C19H19Cl2NO2 — CID 22137550

IUPACN-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
SMILESCCN(CC(CC=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C19H19Cl2NO2/c1-2-22(19(24)14-6-4-3-5-7-14)13-16(10-11-23)15-8-9-17(20)18(21)12-15/h3-9,11-12,16H,2,10,13H2,1H3
InChIKeyLWMHCPBJEGVKTA-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.83
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide

N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide (PubChem CID 22137550) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
PubChem CID22137550
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
SMILESCCN(CC(CC=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C19H19Cl2NO2/c1-2-22(19(24)14-6-4-3-5-7-14)13-16(10-11-23)15-8-9-17(20)18(21)12-15/h3-9,11-12,16H,2,10,13H2,1H3
InChIKeyLWMHCPBJEGVKTA-UHFFFAOYSA-N
XLogP4.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[benzoyl(ethyl)amino]-3-(3,4-dichlorophenyl)butyl] acetate
CID 22137542
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylbenzamide
CID 54492746
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
CID 22405750
tert-butyl N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylcarbamate
CID 22452656
N-[2-(3,4-dichlorophenyl)but-3-enyl]-N-methylbenzamide
CID 19066418
3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
CID 57063992
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide
CID 57022891
4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide
CID 82139155
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
CID 174412487
CID 174412487

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide (CID 22137550) is N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide is CCN(CC(CC=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide?
The InChIKey is LWMHCPBJEGVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-2-22(19(24)14-6-4-3-5-7-14)13-16(10-11-23)15-8-9-17(20)18(21)12-15/h3-9,11-12,16H,2,10,13H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide has a molecular weight of 364.27 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide is sourced from PubChem (CID 22137550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).