3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide

C14H10BrF2NO — CID 46489276

IUPAC3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-2-3-11(16)7-13(8)18-14(19)9-4-10(15)6-12(17)5-9/h2-7H,1H3,(H,18,19)
InChIKeyLABBPXXEXICBDV-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide

3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide (PubChem CID 46489276) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
PubChem CID46489276
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-2-3-11(16)7-13(8)18-14(19)9-4-10(15)6-12(17)5-9/h2-7H,1H3,(H,18,19)
InChIKeyLABBPXXEXICBDV-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
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5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
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N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
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2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
N-(5-fluoro-2-methylphenyl)-4-formylbenzamide
CID 134025425
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393796

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide (CID 46489276) is 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide is Cc1ccc(F)cc1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide?
The InChIKey is LABBPXXEXICBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-2-3-11(16)7-13(8)18-14(19)9-4-10(15)6-12(17)5-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide?
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 46489276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).