5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide

C26H23FN2O — CID 67810606

IUPAC5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccccc2F)c(-c2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C26H23FN2O/c1-17(2)24-23(26(30)28-19-13-7-4-8-14-19)22(18-11-5-3-6-12-18)25(29-24)20-15-9-10-16-21(20)27/h3-17,29H,1-2H3,(H,28,30)
InChIKeyXEBJKFLOIKZJBH-UHFFFAOYSA-N
MW398.48 g/mol
LogP6.86
Rot. Bonds5

About 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide

5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 67810606) has the molecular formula C26H23FN2O and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
PubChem CID67810606
Molecular FormulaC26H23FN2O
Molecular Weight398.48 g/mol
Exact Mass398.18
IUPAC Name5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccccc2F)c(-c2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C26H23FN2O/c1-17(2)24-23(26(30)28-19-13-7-4-8-14-19)22(18-11-5-3-6-12-18)25(29-24)20-15-9-10-16-21(20)27/h3-17,29H,1-2H3,(H,28,30)
InChIKeyXEBJKFLOIKZJBH-UHFFFAOYSA-N
XLogP6.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 154634111
N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 11956666
1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
5-(4-fluorophenyl)-1-pentyl-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 16751805
1-hydroxy-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 140995763
2-fluoro-N-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)phenyl]benzamide
CID 42835609
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
methylsulfinylmethane;2-N,5-N,3,4-tetraphenyl-1H-pyrrole-2,5-dicarboxamide
CID 139044972
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 11956451
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-[(3R)-3,5,8,8-tetrahydroxyoctyl]pyrrole-3-carboxamide
CID 142058881
N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956561
carbanide;1-(3,3-dimethylbut-1-enyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;tris(1-(3,3-dimethylbut-1-enyl)-2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrole);rhenium
CID 162280841

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide (CID 67810606) is 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide is CC(C)c1[nH]c(-c2ccccc2F)c(-c2ccccc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is XEBJKFLOIKZJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O/c1-17(2)24-23(26(30)28-19-13-7-4-8-14-19)22(18-11-5-3-6-12-18)25(29-24)20-15-9-10-16-21(20)27/h3-17,29H,1-2H3,(H,28,30).
What are the key properties of 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 67810606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).