N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H18F2N2O3 — CID 17187461

IUPACN-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)N1CC(C(=O)Nc2ccc(F)cc2F)CC1=O
InChIInChI=1S/C15H18F2N2O3/c1-9(8-22-2)19-7-10(5-14(19)20)15(21)18-13-4-3-11(16)6-12(13)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,21)
InChIKeyAVWMEXKAYZJTLF-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.79
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide

N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17187461) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17187461
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC NameN-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCC(C)N1CC(C(=O)Nc2ccc(F)cc2F)CC1=O
InChIInChI=1S/C15H18F2N2O3/c1-9(8-22-2)19-7-10(5-14(19)20)15(21)18-13-4-3-11(16)6-12(13)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,21)
InChIKeyAVWMEXKAYZJTLF-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-bromo-2-fluorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365085
(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365005
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3R)-1-[(2R)-1-methoxypropan-2-yl]-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364965
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-N-(2,3-dichlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365195
dimethyl 2-[[(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 9364852
(3S)-N-(2-chloro-4-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364849
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 17187461) is N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide is COCC(C)N1CC(C(=O)Nc2ccc(F)cc2F)CC1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AVWMEXKAYZJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-9(8-22-2)19-7-10(5-14(19)20)15(21)18-13-4-3-11(16)6-12(13)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17187461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).