2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide

C12H15Br2NO — CID 114315987

IUPAC2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CBr)NC(=O)c1ccccc1Br
InChIInChI=1S/C12H15Br2NO/c1-8(2)11(7-13)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKeyRRQDNUVWTRVVQU-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.60
Rot. Bonds4

About 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide

2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide (PubChem CID 114315987) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
PubChem CID114315987
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CBr)NC(=O)c1ccccc1Br
InChIInChI=1S/C12H15Br2NO/c1-8(2)11(7-13)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKeyRRQDNUVWTRVVQU-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.60
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

N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
CID 114316113
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 114315986
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide
CID 17391425
N-(1-bromo-3-methylbutan-2-yl)-2-methyl-3-nitrobenzamide
CID 113276013
3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107860048

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide (CID 114315987) is 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide is CC(C)C(CBr)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide?
The InChIKey is RRQDNUVWTRVVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8(2)11(7-13)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide?
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide has a molecular weight of 349.07 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 114315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).