5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide

C11H8BrFN2O — CID 79107621

IUPAC5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H8BrFN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16)
InChIKeyALAIPSXKVINIQE-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide

5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide (PubChem CID 79107621) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide
PubChem CID79107621
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H8BrFN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16)
InChIKeyALAIPSXKVINIQE-UHFFFAOYSA-N
XLogP2.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103739975
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N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
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5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
CID 103740512
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
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5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669438
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
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5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide (CID 79107621) is 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide is O=C(Nn1cccc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide?
The InChIKey is ALAIPSXKVINIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16).
What are the key properties of 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide?
5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide has a molecular weight of 283.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 79107621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).