1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one

C16H22ClNO — CID 62645176

IUPAC1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
SMILESCCN(CCC(=O)c1ccccc1Cl)C1CCCC1
InChIInChI=1S/C16H22ClNO/c1-2-18(13-7-3-4-8-13)12-11-16(19)14-9-5-6-10-15(14)17/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyLMAKCWUPBLVVNV-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.18
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one

1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one (PubChem CID 62645176) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
PubChem CID62645176
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
SMILESCCN(CCC(=O)c1ccccc1Cl)C1CCCC1
InChIInChI=1S/C16H22ClNO/c1-2-18(13-7-3-4-8-13)12-11-16(19)14-9-5-6-10-15(14)17/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyLMAKCWUPBLVVNV-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
CID 62644896
1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
CID 62644011
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 43219722
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(2-chlorophenyl)propan-1-one
CID 63681519
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
CID 110627614

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one (CID 62645176) is 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one is CCN(CCC(=O)c1ccccc1Cl)C1CCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one?
The InChIKey is LMAKCWUPBLVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-18(13-7-3-4-8-13)12-11-16(19)14-9-5-6-10-15(14)17/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one?
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one has a molecular weight of 279.81 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one is sourced from PubChem (CID 62645176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).