3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide

C22H25FN2O2 — CID 110306138

IUPAC3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(Cc1ccccc1F)C(=O)N[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C22H25FN2O2/c1-16(15-18-11-5-6-12-19(18)23)21(26)24-20(17-9-3-2-4-10-17)22(27)25-13-7-8-14-25/h2-6,9-12,16,20H,7-8,13-15H2,1H3,(H,24,26)/t16?,20-/m0/s1
InChIKeySECFDTGPRRYXFR-FZCLLLDFSA-N
MW368.45 g/mol
LogP3.48
Rot. Bonds6

About 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide

3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 110306138) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID110306138
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESCC(Cc1ccccc1F)C(=O)N[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C22H25FN2O2/c1-16(15-18-11-5-6-12-19(18)23)21(26)24-20(17-9-3-2-4-10-17)22(27)25-13-7-8-14-25/h2-6,9-12,16,20H,7-8,13-15H2,1H3,(H,24,26)/t16?,20-/m0/s1
InChIKeySECFDTGPRRYXFR-FZCLLLDFSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 119418204
2-[1-(2-fluorophenyl)propan-2-ylamino]-1-piperidin-1-ylpropan-1-one
CID 114829382
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95284220
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352236
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55963689
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
3-(2-fluorophenyl)-2-methyl-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617982
benzyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352237

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide (CID 110306138) is 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide is CC(Cc1ccccc1F)C(=O)N[C@H](C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is SECFDTGPRRYXFR-FZCLLLDFSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16(15-18-11-5-6-12-19(18)23)21(26)24-20(17-9-3-2-4-10-17)22(27)25-13-7-8-14-25/h2-6,9-12,16,20H,7-8,13-15H2,1H3,(H,24,26)/t16?,20-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 368.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 110306138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).