3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

C21H23FN2O3 — CID 124842945

IUPAC3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCOCCN1C[C@@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1=O
InChIInChI=1S/C21H23FN2O3/c1-27-10-9-24-14-15(11-20(24)25)13-23-21(26)18-4-2-3-17(12-18)16-5-7-19(22)8-6-16/h2-8,12,15H,9-11,13-14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyCXBFZYNBWFDSLN-OAHLLOKOSA-N
MW370.42 g/mol
LogP2.72
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 124842945) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID124842945
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCOCCN1C[C@@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1=O
InChIInChI=1S/C21H23FN2O3/c1-27-10-9-24-14-15(11-20(24)25)13-23-21(26)18-4-2-3-17(12-18)16-5-7-19(22)8-6-16/h2-8,12,15H,9-11,13-14H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyCXBFZYNBWFDSLN-OAHLLOKOSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
CID 125448469
methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126449126
3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 125169497
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 125177385
N-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 118788931
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 99927250
3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 126442048
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979
3-(3-fluoro-4-hydroxyphenyl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]benzamide
CID 119070143
N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 40911335

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 124842945) is 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is COCCN1C[C@@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1=O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is CXBFZYNBWFDSLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-27-10-9-24-14-15(11-20(24)25)13-23-21(26)18-4-2-3-17(12-18)16-5-7-19(22)8-6-16/h2-8,12,15H,9-11,13-14H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 124842945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).