4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide

C15H21Br2NO2 — CID 106356212

IUPAC4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C15H21Br2NO2/c1-15(2,3)13(7-8-16)18-14(19)11-6-5-10(17)9-12(11)20-4/h5-6,9,13H,7-8H2,1-4H3,(H,18,19)
InChIKeyKUBRXUDHGHQJHC-UHFFFAOYSA-N
MW407.15 g/mol
LogP4.39
Rot. Bonds5

About 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide

4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide (PubChem CID 106356212) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
PubChem CID106356212
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC Name4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C15H21Br2NO2/c1-15(2,3)13(7-8-16)18-14(19)11-6-5-10(17)9-12(11)20-4/h5-6,9,13H,7-8H2,1-4H3,(H,18,19)
InChIKeyKUBRXUDHGHQJHC-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 54.39
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-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106350244
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962
4-amino-2-[(4-bromo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 115368589
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide (CID 106356212) is 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(CCBr)C(C)(C)C.
What is the InChIKey of 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The InChIKey is KUBRXUDHGHQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2/c1-15(2,3)13(7-8-16)18-14(19)11-6-5-10(17)9-12(11)20-4/h5-6,9,13H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide has a molecular weight of 407.15 g/mol, XLogP of 4.39, 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-4,4-dimethylpentan-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 106356212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).