1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide

C19H27ClN2O — CID 56509989

IUPAC1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H27ClN2O/c1-21(14-15-22-12-4-5-13-22)18(23)19(10-2-3-11-19)16-6-8-17(20)9-7-16/h6-9H,2-5,10-15H2,1H3
InChIKeyNOQLGWNGLHDWCH-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide (PubChem CID 56509989) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
PubChem CID56509989
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H27ClN2O/c1-21(14-15-22-12-4-5-13-22)18(23)19(10-2-3-11-19)16-6-8-17(20)9-7-16/h6-9H,2-5,10-15H2,1H3
InChIKeyNOQLGWNGLHDWCH-UHFFFAOYSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
CID 46981529
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454525
2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509489
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
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1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 77085263
1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 30777999
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78865674
1-[4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]piperidin-4-yl]propan-1-one;dihydrochloride
CID 3031041
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 63210907

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide (CID 56509989) is 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide is CN(CCN1CCCC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is NOQLGWNGLHDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-21(14-15-22-12-4-5-13-22)18(23)19(10-2-3-11-19)16-6-8-17(20)9-7-16/h6-9H,2-5,10-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56509989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).