4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide

C17H13FN2O — CID 2768248

IUPAC4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)20-11-1-2-12-20/h1-12H,(H,19,21)
InChIKeyKTUOITFQRFJWMM-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.87
Rot. Bonds3

About 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide

4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide (PubChem CID 2768248) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
PubChem CID2768248
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)20-11-1-2-12-20/h1-12H,(H,19,21)
InChIKeyKTUOITFQRFJWMM-UHFFFAOYSA-N
XLogP3.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110745346
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
CID 84579886
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide (CID 2768248) is 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide?
The InChIKey is KTUOITFQRFJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)20-11-1-2-12-20/h1-12H,(H,19,21).
What are the key properties of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide?
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide has a molecular weight of 280.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 2768248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).