3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

C17H23FN2O2 — CID 110737248

IUPAC3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CC(CNC(=O)CCc2cccc(F)c2)CC1=O
InChIInChI=1S/C17H23FN2O2/c1-12(2)20-11-14(9-17(20)22)10-19-16(21)7-6-13-4-3-5-15(18)8-13/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyOLZIIKXPPKTLJK-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.13
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 110737248) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
PubChem CID110737248
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CC(CNC(=O)CCc2cccc(F)c2)CC1=O
InChIInChI=1S/C17H23FN2O2/c1-12(2)20-11-14(9-17(20)22)10-19-16(21)7-6-13-4-3-5-15(18)8-13/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyOLZIIKXPPKTLJK-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 110737318
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110719904
N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
CID 91213723
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (CID 110737248) is 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is CC(C)N1CC(CNC(=O)CCc2cccc(F)c2)CC1=O.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is OLZIIKXPPKTLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(2)20-11-14(9-17(20)22)10-19-16(21)7-6-13-4-3-5-15(18)8-13/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 306.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 110737248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).