1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone

C13H17Cl2NO — CID 43795354

IUPAC1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
SMILESCCCN(CC)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-7-16(4-2)9-13(17)11-6-5-10(14)8-12(11)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyXKHOQNWAWXQWIX-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.91
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone

1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone (PubChem CID 43795354) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
PubChem CID43795354
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
SMILESCCCN(CC)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-7-16(4-2)9-13(17)11-6-5-10(14)8-12(11)15/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyXKHOQNWAWXQWIX-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone 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

1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
1-(2,4-dichlorophenyl)-3-methylhexan-1-one
CID 114968710
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
3-[cyclopropyl-[2-(2,4-dichlorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62036058

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone (CID 43795354) is 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone is CCCN(CC)CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone?
The InChIKey is XKHOQNWAWXQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-7-16(4-2)9-13(17)11-6-5-10(14)8-12(11)15/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone?
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone has a molecular weight of 274.19 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone is sourced from PubChem (CID 43795354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).