2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide

C22H16FN3O — CID 174564377

IUPAC2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(-c2ccncc2)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-16-7-5-15(6-8-16)21-19(17-3-1-2-4-18(17)22(24)27)13-20(26-21)14-9-11-25-12-10-14/h1-13,26H,(H2,24,27)
InChIKeyLIPYZHSWGXUTGU-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.65
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide

2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide (PubChem CID 174564377) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide
PubChem CID174564377
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(-c2ccncc2)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-16-7-5-15(6-8-16)21-19(17-3-1-2-4-18(17)22(24)27)13-20(26-21)14-9-11-25-12-10-14/h1-13,26H,(H2,24,27)
InChIKeyLIPYZHSWGXUTGU-UHFFFAOYSA-N
XLogP4.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide (CID 174564377) is 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide is NC(=O)c1ccccc1-c1cc(-c2ccncc2)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide?
The InChIKey is LIPYZHSWGXUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-16-7-5-15(6-8-16)21-19(17-3-1-2-4-18(17)22(24)27)13-20(26-21)14-9-11-25-12-10-14/h1-13,26H,(H2,24,27).
What are the key properties of 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide?
2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide has a molecular weight of 357.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide is sourced from PubChem (CID 174564377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).