(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone

C17H24ClNO — CID 107559882

IUPAC(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
SMILESCCN(CC)C1(C(=O)c2ccc(C)c(Cl)c2)CCCC1
InChIInChI=1S/C17H24ClNO/c1-4-19(5-2)17(10-6-7-11-17)16(20)14-9-8-13(3)15(18)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyNTCSFEGFBGIJHG-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.49
Rot. Bonds5

About (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone

(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone (PubChem CID 107559882) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
PubChem CID107559882
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
SMILESCCN(CC)C1(C(=O)c2ccc(C)c(Cl)c2)CCCC1
InChIInChI=1S/C17H24ClNO/c1-4-19(5-2)17(10-6-7-11-17)16(20)14-9-8-13(3)15(18)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyNTCSFEGFBGIJHG-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 79069935
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373297
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
CID 107561390
(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone
CID 130908835
(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066108
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chloro-4-methylbenzamide
CID 115456438

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone (CID 107559882) is (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone is CCN(CC)C1(C(=O)c2ccc(C)c(Cl)c2)CCCC1.
What is the InChIKey of (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone?
The InChIKey is NTCSFEGFBGIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-19(5-2)17(10-6-7-11-17)16(20)14-9-8-13(3)15(18)12-14/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone?
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone has a molecular weight of 293.84 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone is sourced from PubChem (CID 107559882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).