4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde

C21H20FNO — CID 19818488

IUPAC4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
SMILESCC(C)c1c(C=O)c(-c2ccc(F)cc2)c(-c2ccccc2)n1C
InChIInChI=1S/C21H20FNO/c1-14(2)20-18(13-24)19(15-9-11-17(22)12-10-15)21(23(20)3)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyUQEVZJWRGONDIM-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.43
Rot. Bonds4

About 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde

4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde (PubChem CID 19818488) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
PubChem CID19818488
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde
SMILESCC(C)c1c(C=O)c(-c2ccc(F)cc2)c(-c2ccccc2)n1C
InChIInChI=1S/C21H20FNO/c1-14(2)20-18(13-24)19(15-9-11-17(22)12-10-15)21(23(20)3)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyUQEVZJWRGONDIM-UHFFFAOYSA-N
XLogP5.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde (CID 19818488) is 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde is CC(C)c1c(C=O)c(-c2ccc(F)cc2)c(-c2ccccc2)n1C.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
The InChIKey is UQEVZJWRGONDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-14(2)20-18(13-24)19(15-9-11-17(22)12-10-15)21(23(20)3)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde?
4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde has a molecular weight of 321.40 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-5-phenyl-2-propan-2-ylpyrrole-3-carbaldehyde is sourced from PubChem (CID 19818488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).