N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide

C12H11F3N2O3 — CID 78981903

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(OC(F)F)c(F)c2)CN1
InChIInChI=1S/C12H11F3N2O3/c13-8-4-7(1-2-9(8)20-12(14)15)17-11(19)6-3-10(18)16-5-6/h1-2,4,6,12H,3,5H2,(H,16,18)(H,17,19)
InChIKeyLRVQBGLUMCKNDN-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.50
Rot. Bonds4

About N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981903) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78981903
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(OC(F)F)c(F)c2)CN1
InChIInChI=1S/C12H11F3N2O3/c13-8-4-7(1-2-9(8)20-12(14)15)17-11(19)6-3-10(18)16-5-6/h1-2,4,6,12H,3,5H2,(H,16,18)(H,17,19)
InChIKeyLRVQBGLUMCKNDN-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981746
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982469
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide (CID 78981903) is N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc(OC(F)F)c(F)c2)CN1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LRVQBGLUMCKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-8-4-7(1-2-9(8)20-12(14)15)17-11(19)6-3-10(18)16-5-6/h1-2,4,6,12H,3,5H2,(H,16,18)(H,17,19).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).