1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride

C14H18Cl2N2O — CID 119450721

IUPAC1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O.ClH/c15-11-3-1-10(2-4-11)14(6-7-14)13(18)17-12-5-8-16-9-12;/h1-4,12,16H,5-9H2,(H,17,18);1H
InChIKeyJAXCIYZKHGPMQC-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride

1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119450721) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119450721
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O.ClH/c15-11-3-1-10(2-4-11)14(6-7-14)13(18)17-12-5-8-16-9-12;/h1-4,12,16H,5-9H2,(H,17,18);1H
InChIKeyJAXCIYZKHGPMQC-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-chlorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119455788
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride (CID 119450721) is 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is JAXCIYZKHGPMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.ClH/c15-11-3-1-10(2-4-11)14(6-7-14)13(18)17-12-5-8-16-9-12;/h1-4,12,16H,5-9H2,(H,17,18);1H.
What are the key properties of 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 301.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119450721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).