4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide

C11H11Br2F2NO2 — CID 114155269

IUPAC4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
SMILESCOCC(CBr)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H11Br2F2NO2/c1-18-5-7(4-12)16-11(17)10-8(14)2-6(13)3-9(10)15/h2-3,7H,4-5H2,1H3,(H,16,17)
InChIKeyISIIAPNFVKHQMC-UHFFFAOYSA-N
MW387.02 g/mol
LogP2.87
Rot. Bonds5

About 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide

4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide (PubChem CID 114155269) has the molecular formula C11H11Br2F2NO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
PubChem CID114155269
Molecular FormulaC11H11Br2F2NO2
Molecular Weight387.02 g/mol
Exact Mass384.91
IUPAC Name4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
SMILESCOCC(CBr)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H11Br2F2NO2/c1-18-5-7(4-12)16-11(17)10-8(14)2-6(13)3-9(10)15/h2-3,7H,4-5H2,1H3,(H,16,17)
InChIKeyISIIAPNFVKHQMC-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
CID 114310689
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
4-bromo-N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244885
4-bromo-N-(1-chloropentan-3-yl)-2,6-difluorobenzamide
CID 113496332
4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
N-(4-bromo-1-methoxybutan-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106156113
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219
N-(1-aminohexan-2-yl)-4-bromo-2,6-difluorobenzamide;hydrochloride
CID 119665762
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
N-(1-bromo-3-methoxypropan-2-yl)-3-fluoro-5-nitrobenzamide
CID 106184238
N-(4-bromo-1-methoxybutan-2-yl)-3,4,5-trifluorobenzamide
CID 106156143

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide (CID 114155269) is 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide is COCC(CBr)NC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide?
The InChIKey is ISIIAPNFVKHQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2F2NO2/c1-18-5-7(4-12)16-11(17)10-8(14)2-6(13)3-9(10)15/h2-3,7H,4-5H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide?
4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide has a molecular weight of 387.02 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 114155269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).