5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C27H22F4N2O — CID 154634111

IUPAC5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C27H22F4N2O/c1-16(2)24-23(26(34)32-21-6-4-3-5-7-21)22(17-8-12-19(13-9-17)27(29,30)31)25(33-24)18-10-14-20(28)15-11-18/h3-16,33H,1-2H3,(H,32,34)
InChIKeySQQYWFXYJBACDY-UHFFFAOYSA-N
MW466.48 g/mol
LogP7.88
Rot. Bonds5

About 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 154634111) has the molecular formula C27H22F4N2O and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID154634111
Molecular FormulaC27H22F4N2O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C27H22F4N2O/c1-16(2)24-23(26(34)32-21-6-4-3-5-7-21)22(17-8-12-19(13-9-17)27(29,30)31)25(33-24)18-10-14-20(28)15-11-18/h3-16,33H,1-2H3,(H,32,34)
InChIKeySQQYWFXYJBACDY-UHFFFAOYSA-N
XLogP7.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 67810606
N-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-5-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 11956666
5-(4-fluorophenyl)-1-pentyl-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 16751805
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-[(3R)-3,5,8,8-tetrahydroxyoctyl]pyrrole-3-carboxamide
CID 142058881
1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrrol-1-yl]ethyl]-2-methyl-1,3-dioxan-4-yl]acetate
CID 91131317
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 11956451
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;2,2,2-trifluoroacetic acid
CID 75204412
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-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 154634111) is 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is CC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is SQQYWFXYJBACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N2O/c1-16(2)24-23(26(34)32-21-6-4-3-5-7-21)22(17-8-12-19(13-9-17)27(29,30)31)25(33-24)18-10-14-20(28)15-11-18/h3-16,33H,1-2H3,(H,32,34).
What are the key properties of 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 466.48 g/mol, XLogP of 7.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-phenyl-2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154634111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).