N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C12H12F2N2O2 — CID 110471718

IUPACN-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2cc(F)cc(F)c2)N1
InChIInChI=1S/C12H12F2N2O2/c13-8-3-7(4-9(14)5-8)6-15-12(18)10-1-2-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17)
InChIKeyWWQSIEMAYZNFRZ-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.86
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110471718) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110471718
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2cc(F)cc(F)c2)N1
InChIInChI=1S/C12H12F2N2O2/c13-8-3-7(4-9(14)5-8)6-15-12(18)10-1-2-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17)
InChIKeyWWQSIEMAYZNFRZ-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56818163
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
3-[3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906010
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877841
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 34687941
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110471718) is N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCc2cc(F)cc(F)c2)N1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WWQSIEMAYZNFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-8-3-7(4-9(14)5-8)6-15-12(18)10-1-2-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110471718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).