N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide

C17H13FN2O — CID 16610347

IUPACN-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H13FN2O/c18-14-6-4-7-15(12-14)19-17(21)13-5-3-8-16(11-13)20-9-1-2-10-20/h1-12H,(H,19,21)
InChIKeyUXGZGNYHLFNONS-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.87
Rot. Bonds3

About N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide

N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide (PubChem CID 16610347) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
PubChem CID16610347
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC NameN-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H13FN2O/c18-14-6-4-7-15(12-14)19-17(21)13-5-3-8-16(11-13)20-9-1-2-10-20/h1-12H,(H,19,21)
InChIKeyUXGZGNYHLFNONS-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-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
CID 26702412
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide (CID 16610347) is N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide is O=C(Nc1cccc(F)c1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is UXGZGNYHLFNONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-14-6-4-7-15(12-14)19-17(21)13-5-3-8-16(11-13)20-9-1-2-10-20/h1-12H,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide?
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide 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 N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 16610347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).