2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C14H10BrF2NO — CID 8927292

IUPAC2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrF2NO/c15-13-6-5-11(17)7-12(13)14(19)18-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,18,19)
InChIKeyADZFARQMTRFHNZ-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide

2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 8927292) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID8927292
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrF2NO/c15-13-6-5-11(17)7-12(13)14(19)18-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,18,19)
InChIKeyADZFARQMTRFHNZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 52560940
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2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
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2-bromo-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
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CID 99637033
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
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N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
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CID 107322000
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
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CID 114372361

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 8927292) is 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is ADZFARQMTRFHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-13-6-5-11(17)7-12(13)14(19)18-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 326.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 8927292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).