(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C23H22FN3O2 — CID 96514873

IUPAC(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)[C@H](c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C23H22FN3O2/c24-19-12-11-18(26-13-6-7-14-26)16-20(19)25-23(29)22(17-8-2-1-3-9-17)27-15-5-4-10-21(27)28/h1-3,6-9,11-14,16,22H,4-5,10,15H2,(H,25,29)/t22-/m0/s1
InChIKeyDKHVWUWFPNGDTE-QFIPXVFZSA-N
MW391.45 g/mol
LogP4.31
Rot. Bonds5

About (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 96514873) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID96514873
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)[C@H](c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C23H22FN3O2/c24-19-12-11-18(26-13-6-7-14-26)16-20(19)25-23(29)22(17-8-2-1-3-9-17)27-15-5-4-10-21(27)28/h1-3,6-9,11-14,16,22H,4-5,10,15H2,(H,25,29)/t22-/m0/s1
InChIKeyDKHVWUWFPNGDTE-QFIPXVFZSA-N
XLogP4.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556711
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 99816438
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515176
N-(4-hydroxycyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111113210
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111422811
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514636

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 96514873) is (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(Nc1cc(-n2cccc2)ccc1F)[C@H](c1ccccc1)N1CCCCC1=O.
What is the InChIKey of (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is DKHVWUWFPNGDTE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-12-11-18(26-13-6-7-14-26)16-20(19)25-23(29)22(17-8-2-1-3-9-17)27-15-5-4-10-21(27)28/h1-3,6-9,11-14,16,22H,4-5,10,15H2,(H,25,29)/t22-/m0/s1.
What are the key properties of (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 391.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 96514873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).