(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C12H13FN2O2 — CID 686846

IUPAC(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C12H13FN2O2/c1-14-12(17)8-6-11(16)15(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeyXAFSYMAXKUBBSZ-QMMMGPOBSA-N
MW236.25 g/mol
LogP0.92
Rot. Bonds2

About (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 686846) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID686846
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C12H13FN2O2/c1-14-12(17)8-6-11(16)15(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeyXAFSYMAXKUBBSZ-QMMMGPOBSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 7477511
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
1-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-oxopyrrolidine-3-carboxylic acid
CID 102189276
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
1-[4-[2-(4-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68615960
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 686846) is (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XAFSYMAXKUBBSZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-14-12(17)8-6-11(16)15(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,17)/t8-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 686846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).