1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

C15H19FN2O — CID 119514550

IUPAC1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O/c16-12-5-3-11(4-6-12)15(7-8-15)14(19)18-10-13-2-1-9-17-13/h3-6,13,17H,1-2,7-10H2,(H,18,19)
InChIKeyLVWUSFNRMGXWTB-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 119514550) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID119514550
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCN1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O/c16-12-5-3-11(4-6-12)15(7-8-15)14(19)18-10-13-2-1-9-17-13/h3-6,13,17H,1-2,7-10H2,(H,18,19)
InChIKeyLVWUSFNRMGXWTB-UHFFFAOYSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119509968
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 91772427
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
1-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369835
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 115594402
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (CID 119514550) is 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCC1CCCN1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is LVWUSFNRMGXWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-5-3-11(4-6-12)15(7-8-15)14(19)18-10-13-2-1-9-17-13/h3-6,13,17H,1-2,7-10H2,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119514550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).