2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide

C14H16F2N2O2 — CID 138687350

IUPAC2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCc1ccccc1[C@@H]1NC(=O)C[C@H]1NC(=O)C(C)(F)F
InChIInChI=1S/C14H16F2N2O2/c1-8-5-3-4-6-9(8)12-10(7-11(19)18-12)17-13(20)14(2,15)16/h3-6,10,12H,7H2,1-2H3,(H,17,20)(H,18,19)/t10-,12+/m1/s1
InChIKeyVXUOJZNDXQYEAM-PWSUYJOCSA-N
MW282.29 g/mol
LogP1.70
Rot. Bonds3

About 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 138687350) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID138687350
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCc1ccccc1[C@@H]1NC(=O)C[C@H]1NC(=O)C(C)(F)F
InChIInChI=1S/C14H16F2N2O2/c1-8-5-3-4-6-9(8)12-10(7-11(19)18-12)17-13(20)14(2,15)16/h3-6,10,12H,7H2,1-2H3,(H,17,20)(H,18,19)/t10-,12+/m1/s1
InChIKeyVXUOJZNDXQYEAM-PWSUYJOCSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Teijin-lead_cmp_5
CID 44353447
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-2-carboxamide
CID 10114895
(2S,3S)-3-(4-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895801
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(trifluoromethyl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895805
(S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 11323414
(S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11529874
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
N-Biphenyl-2-ylmethyl-3-methyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11566229
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide (CID 138687350) is 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide is Cc1ccccc1[C@@H]1NC(=O)C[C@H]1NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is VXUOJZNDXQYEAM-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-8-5-3-4-6-9(8)12-10(7-11(19)18-12)17-13(20)14(2,15)16/h3-6,10,12H,7H2,1-2H3,(H,17,20)(H,18,19)/t10-,12+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 282.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2S,3R)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).