(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone

C16H22ClNO — CID 79069935

IUPAC(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone
SMILESCCN(CC)C1(C(=O)c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C16H22ClNO/c1-3-18(4-2)16(10-5-6-11-16)15(19)13-8-7-9-14(17)12-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyQGOUAJNHKCOPKH-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.18
Rot. Bonds5

About (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone

(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone (PubChem CID 79069935) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone
PubChem CID79069935
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone
SMILESCCN(CC)C1(C(=O)c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C16H22ClNO/c1-3-18(4-2)16(10-5-6-11-16)15(19)13-8-7-9-14(17)12-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyQGOUAJNHKCOPKH-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone 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

(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066108
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
1-(3-chlorophenyl)-2-(2,6,6-trimethylcyclohexen-1-yl)ethanone
CID 71582008
3-chloro-N,N-dipropylbenzamide
CID 669182
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
CID 116614429
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone?
The IUPAC name of (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone (CID 79069935) is (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone is CCN(CC)C1(C(=O)c2cccc(Cl)c2)CCCC1.
What is the InChIKey of (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone?
The InChIKey is QGOUAJNHKCOPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-18(4-2)16(10-5-6-11-16)15(19)13-8-7-9-14(17)12-13/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone?
(3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone has a molecular weight of 279.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[1-(diethylamino)cyclopentyl]methanone is sourced from PubChem (CID 79069935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).