1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone

C17H24ClNO — CID 129109141

IUPAC1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone
SMILESCCN(CC1CCCC1)c1cc(Cl)cc(C(C)=O)c1C
InChIInChI=1S/C17H24ClNO/c1-4-19(11-14-7-5-6-8-14)17-10-15(18)9-16(12(17)2)13(3)20/h9-10,14H,4-8,11H2,1-3H3
InChIKeyZZKHWDVUOHKFKK-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.87
Rot. Bonds5

About 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone

1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone (PubChem CID 129109141) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone
PubChem CID129109141
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone
SMILESCCN(CC1CCCC1)c1cc(Cl)cc(C(C)=O)c1C
InChIInChI=1S/C17H24ClNO/c1-4-19(11-14-7-5-6-8-14)17-10-15(18)9-16(12(17)2)13(3)20/h9-10,14H,4-8,11H2,1-3H3
InChIKeyZZKHWDVUOHKFKK-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[cyclobutylmethyl(ethyl)amino]benzoic acid
CID 107399503
5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide
CID 123574077
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
1-[5-chloro-3-[[cyclobutylmethyl(methyl)amino]methyl]-2-hydroxyphenyl]ethanone
CID 55126287
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
methyl 5-chloro-3-[cyclohex-2-en-1-yl(ethyl)amino]-2-methylbenzoate
CID 163895240
methyl 5-chloro-3-[cyclobutyl(methyl)amino]-2-methylbenzoate
CID 86719572
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone?
The IUPAC name of 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone (CID 129109141) is 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone is CCN(CC1CCCC1)c1cc(Cl)cc(C(C)=O)c1C.
What is the InChIKey of 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone?
The InChIKey is ZZKHWDVUOHKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-19(11-14-7-5-6-8-14)17-10-15(18)9-16(12(17)2)13(3)20/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone?
1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone has a molecular weight of 293.84 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone is sourced from PubChem (CID 129109141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).