N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H17FN2O — CID 63005470

IUPACN-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(10-3-2-4-12(14)7-10)16-13(17)11-5-6-15-8-11/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,16,17)
InChIKeySNVPSIFXCCZLSF-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.61
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63005470) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63005470
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(10-3-2-4-12(14)7-10)16-13(17)11-5-6-15-8-11/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,16,17)
InChIKeySNVPSIFXCCZLSF-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005842
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119810410
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810409
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 63005470) is N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SNVPSIFXCCZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(10-3-2-4-12(14)7-10)16-13(17)11-5-6-15-8-11/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).