3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide

C11H12Br2FNO — CID 107956806

IUPAC3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12Br2FNO/c1-7(6-12)15(2)11(16)8-3-4-10(14)9(13)5-8/h3-5,7H,6H2,1-2H3
InChIKeyPQWCHFULZVAZJH-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.44
Rot. Bonds3

About 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide

3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide (PubChem CID 107956806) has the molecular formula C11H12Br2FNO and a molecular weight of 353.03 g/mol. Its IUPAC name is 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
PubChem CID107956806
Molecular FormulaC11H12Br2FNO
Molecular Weight353.03 g/mol
Exact Mass350.93
IUPAC Name3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12Br2FNO/c1-7(6-12)15(2)11(16)8-3-4-10(14)9(13)5-8/h3-5,7H,6H2,1-2H3
InChIKeyPQWCHFULZVAZJH-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692087
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104556200
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide (CID 107956806) is 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide is CC(CBr)N(C)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide?
The InChIKey is PQWCHFULZVAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2FNO/c1-7(6-12)15(2)11(16)8-3-4-10(14)9(13)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide?
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide has a molecular weight of 353.03 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 107956806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).