N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide

C14H17FN2O2 — CID 40805226

IUPACN-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O2/c1-2-13(18)16-8-10-7-14(19)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyJDPVZLTWBJCNJP-JTQLQIEISA-N
MW264.30 g/mol
LogP1.70
Rot. Bonds4

About N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide

N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide (PubChem CID 40805226) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
PubChem CID40805226
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O2/c1-2-13(18)16-8-10-7-14(19)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyJDPVZLTWBJCNJP-JTQLQIEISA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
ethyl N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896124
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
CID 16918752
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919671
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 16918650

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide (CID 40805226) is N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide is CCC(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
The InChIKey is JDPVZLTWBJCNJP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-13(18)16-8-10-7-14(19)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide?
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide has a molecular weight of 264.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 40805226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).