5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide

C16H21FN2O2 — CID 99788500

IUPAC5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-18-15(20)5-2-6-16(21)19-11-3-4-14(19)12-7-9-13(17)10-8-12/h7-10,14H,2-6,11H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyITFWFEFAJKFYLP-AWEZNQCLSA-N
MW292.35 g/mol
LogP2.41
Rot. Bonds5

About 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide

5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 99788500) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID99788500
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-18-15(20)5-2-6-16(21)19-11-3-4-14(19)12-7-9-13(17)10-8-12/h7-10,14H,2-6,11H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyITFWFEFAJKFYLP-AWEZNQCLSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
CID 99698305
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 77090927
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide (CID 99788500) is 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide is CNC(=O)CCCC(=O)N1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is ITFWFEFAJKFYLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18-15(20)5-2-6-16(21)19-11-3-4-14(19)12-7-9-13(17)10-8-12/h7-10,14H,2-6,11H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 292.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 99788500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).