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

C12H12F2N2O2 — CID 78942020

IUPACN-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2cc(F)ccc2F)CN1
InChIInChI=1S/C12H12F2N2O2/c13-9-1-2-10(14)7(3-9)5-16-12(18)8-4-11(17)15-6-8/h1-3,8H,4-6H2,(H,15,17)(H,16,18)
InChIKeyXNOFTVVPXJXWRA-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.72
Rot. Bonds3

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

N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78942020) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78942020
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2cc(F)ccc2F)CN1
InChIInChI=1S/C12H12F2N2O2/c13-9-1-2-10(14)7(3-9)5-16-12(18)8-4-11(17)15-6-8/h1-3,8H,4-6H2,(H,15,17)(H,16,18)
InChIKeyXNOFTVVPXJXWRA-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124537618
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 78942020) is N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCc2cc(F)ccc2F)CN1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XNOFTVVPXJXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-9-1-2-10(14)7(3-9)5-16-12(18)8-4-11(17)15-6-8/h1-3,8H,4-6H2,(H,15,17)(H,16,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78942020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).