1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide

C18H25ClN2O — CID 119550638

IUPAC1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(Cl)cc2)CCCCC1)C1CCNC1
InChIInChI=1S/C18H25ClN2O/c1-21(16-9-12-20-13-16)17(22)18(10-3-2-4-11-18)14-5-7-15(19)8-6-14/h5-8,16,20H,2-4,9-13H2,1H3
InChIKeyRGZKFGJNNFUNDD-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide (PubChem CID 119550638) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
PubChem CID119550638
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(Cl)cc2)CCCCC1)C1CCNC1
InChIInChI=1S/C18H25ClN2O/c1-21(16-9-12-20-13-16)17(22)18(10-3-2-4-11-18)14-5-7-15(19)8-6-14/h5-8,16,20H,2-4,9-13H2,1H3
InChIKeyRGZKFGJNNFUNDD-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
CID 112760416
1-(4-chlorophenyl)-N-methyl-N-(thian-4-yl)cyclopropane-1-carboxamide
CID 91830183
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119552349
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119549893
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide (CID 119550638) is 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide is CN(C(=O)C1(c2ccc(Cl)cc2)CCCCC1)C1CCNC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
The InChIKey is RGZKFGJNNFUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-21(16-9-12-20-13-16)17(22)18(10-3-2-4-11-18)14-5-7-15(19)8-6-14/h5-8,16,20H,2-4,9-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide has a molecular weight of 320.86 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 119550638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).