N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H16F2N2O — CID 63005842

IUPACN-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-8(12-10(14)3-2-4-11(12)15)17-13(18)9-5-6-16-7-9/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyFWQGTIUHAVIPSV-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.75
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide

N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63005842) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63005842
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-8(12-10(14)3-2-4-11(12)15)17-13(18)9-5-6-16-7-9/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyFWQGTIUHAVIPSV-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119343651
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 63005842) is N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is FWQGTIUHAVIPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8(12-10(14)3-2-4-11(12)15)17-13(18)9-5-6-16-7-9/h2-4,8-9,16H,5-7H2,1H3,(H,17,18).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).