1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

C15H19ClN2O — CID 119509968

IUPAC1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN2O/c16-12-4-1-3-11(9-12)15(6-7-15)14(19)18-10-13-5-2-8-17-13/h1,3-4,9,13,17H,2,5-8,10H2,(H,18,19)
InChIKeyYVQTYUQQYGSGDI-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 119509968) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID119509968
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN2O/c16-12-4-1-3-11(9-12)15(6-7-15)14(19)18-10-13-5-2-8-17-13/h1,3-4,9,13,17H,2,5-8,10H2,(H,18,19)
InChIKeyYVQTYUQQYGSGDI-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119799758
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
1-(3-chlorophenyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 94006812
1-(3-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 56811496
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 51099492
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (CID 119509968) is 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCC1CCCN1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is YVQTYUQQYGSGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-4-1-3-11(9-12)15(6-7-15)14(19)18-10-13-5-2-8-17-13/h1,3-4,9,13,17H,2,5-8,10H2,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119509968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).