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

C13H15Cl2NO — CID 43794977

IUPAC2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-16(10-4-5-10)8-13(17)11-6-3-9(14)7-12(11)15/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyOPKQGLKUZLQBGH-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.66
Rot. Bonds5

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

2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone (PubChem CID 43794977) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
PubChem CID43794977
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-16(10-4-5-10)8-13(17)11-6-3-9(14)7-12(11)15/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyOPKQGLKUZLQBGH-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[2-(2,4-dichlorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62036058
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43796704
1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63565926
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 43219722
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone (CID 43794977) is 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone is CCN(CC(=O)c1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is OPKQGLKUZLQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-2-16(10-4-5-10)8-13(17)11-6-3-9(14)7-12(11)15/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone?
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 272.17 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 43794977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).