1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride

C17H24Cl2N2O — CID 119553957

IUPAC1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(c2cccc(Cl)c2)CCCC1)C1CCNC1.Cl
InChIInChI=1S/C17H23ClN2O.ClH/c1-20(15-7-10-19-12-15)16(21)17(8-2-3-9-17)13-5-4-6-14(18)11-13;/h4-6,11,15,19H,2-3,7-10,12H2,1H3;1H
InChIKeyBOYIPDNFUAGEPQ-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride

1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119553957) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119553957
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(c2cccc(Cl)c2)CCCC1)C1CCNC1.Cl
InChIInChI=1S/C17H23ClN2O.ClH/c1-20(15-7-10-19-12-15)16(21)17(8-2-3-9-17)13-5-4-6-14(18)11-13;/h4-6,11,15,19H,2-3,7-10,12H2,1H3;1H
InChIKeyBOYIPDNFUAGEPQ-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119550638
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119552349
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 102867355
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride (CID 119553957) is 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride is CN(C(=O)C1(c2cccc(Cl)c2)CCCC1)C1CCNC1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is BOYIPDNFUAGEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O.ClH/c1-20(15-7-10-19-12-15)16(21)17(8-2-3-9-17)13-5-4-6-14(18)11-13;/h4-6,11,15,19H,2-3,7-10,12H2,1H3;1H.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 343.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119553957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).