1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C17H14F2N2O2 — CID 113192285

IUPAC1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C17H14F2N2O2/c18-13-7-4-8-14(19)16(13)21-10-11(9-15(21)22)17(23)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23)
InChIKeyMSGSQXZQIKNFSD-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.96
Rot. Bonds3

About 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 113192285) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID113192285
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C17H14F2N2O2/c18-13-7-4-8-14(19)16(13)21-10-11(9-15(21)22)17(23)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23)
InChIKeyMSGSQXZQIKNFSD-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192355
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 154859529
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
1-(2,6-difluorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 122158902
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 113192285) is 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1)C1CC(=O)N(c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is MSGSQXZQIKNFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-13-7-4-8-14(19)16(13)21-10-11(9-15(21)22)17(23)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23).
What are the key properties of 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113192285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).