4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide

C10H9Br2F2NO — CID 114310689

IUPAC4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
SMILESCC(CBr)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9Br2F2NO/c1-5(4-11)15-10(16)9-7(13)2-6(12)3-8(9)14/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyWTJYLILTSQVFFP-UHFFFAOYSA-N
MW356.99 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide

4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide (PubChem CID 114310689) has the molecular formula C10H9Br2F2NO and a molecular weight of 356.99 g/mol. Its IUPAC name is 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
PubChem CID114310689
Molecular FormulaC10H9Br2F2NO
Molecular Weight356.99 g/mol
Exact Mass354.90
IUPAC Name4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
SMILESCC(CBr)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9Br2F2NO/c1-5(4-11)15-10(16)9-7(13)2-6(12)3-8(9)14/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyWTJYLILTSQVFFP-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 75378516
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
4-bromo-2,6-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 115687743
4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
CID 114155269
4-bromo-N-but-3-yn-2-yl-2,6-difluorobenzamide
CID 114389970
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
4-bromo-N-(1-chloropentan-3-yl)-2,6-difluorobenzamide
CID 113496332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide (CID 114310689) is 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide is CC(CBr)NC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide?
The InChIKey is WTJYLILTSQVFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F2NO/c1-5(4-11)15-10(16)9-7(13)2-6(12)3-8(9)14/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide?
4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide has a molecular weight of 356.99 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 114310689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).