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

C26H23FN2O — CID 11292460

IUPAC5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C26H23FN2O/c1-17(2)24-23(26(30)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(29-24)19-13-15-20(27)16-14-19/h3-17,29H,1-2H3,(H,28,30)
InChIKeyVVWQXUVEGUGGOY-UHFFFAOYSA-N
MW398.48 g/mol
LogP6.86
Rot. Bonds5

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

5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 11292460) has the molecular formula C26H23FN2O and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
PubChem CID11292460
Molecular FormulaC26H23FN2O
Molecular Weight398.48 g/mol
Exact Mass398.18
IUPAC Name5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C26H23FN2O/c1-17(2)24-23(26(30)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(29-24)19-13-15-20(27)16-14-19/h3-17,29H,1-2H3,(H,28,30)
InChIKeyVVWQXUVEGUGGOY-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide (CID 11292460) is 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide is CC(C)c1[nH]c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is VVWQXUVEGUGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O/c1-17(2)24-23(26(30)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(29-24)19-13-15-20(27)16-14-19/h3-17,29H,1-2H3,(H,28,30).
What are the key properties of 5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide?
5-(4-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-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 11292460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).