2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide

C21H22F2N2O — CID 58641402

IUPAC2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1
InChIInChI=1S/C21H22F2N2O/c1-14(2)24-21(26)13-25-12-16(18-11-17(22)8-9-19(18)23)10-20(25)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyRSXOPPJONSXQNW-FQEVSTJZSA-N
MW356.42 g/mol
LogP3.93
Rot. Bonds5

About 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide

2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide (PubChem CID 58641402) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide
PubChem CID58641402
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1
InChIInChI=1S/C21H22F2N2O/c1-14(2)24-21(26)13-25-12-16(18-11-17(22)8-9-19(18)23)10-20(25)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyRSXOPPJONSXQNW-FQEVSTJZSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylbutanamide
CID 68897092
3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine
CID 142842990
(2S)-4-(2,5-difluorophenyl)-N-(2-methylpropyl)-2-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 160837602
1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-piperazin-1-ylpropan-2-one
CID 69266113
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-hydroxybutan-2-one
CID 91593238
(2S)-4-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)-2-phenyl-2,5-dihydropyrrole
CID 58641378
2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]butanamide
CID 142842983
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-4-oxobutanoic acid
CID 68899175
[(2S)-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68897748
4-(2,5-difluorophenyl)-1-methyl-2-phenyl-2,5-dihydropyrrole;N,2-dimethylpropan-1-amine;formaldehyde
CID 142843022
(2S)-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-(ethylamino)ethanone
CID 142842975
1-[4-(2,5-difluorophenyl)-6-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 10403280

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide (CID 58641402) is 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is RSXOPPJONSXQNW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-14(2)24-21(26)13-25-12-16(18-11-17(22)8-9-19(18)23)10-20(25)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide?
2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 356.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 58641402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).