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

C15H22BrNO2 — CID 106356172

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C15H22BrNO2/c1-15(2,3)13(9-10-16)17-14(18)11-7-5-6-8-12(11)19-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)
InChIKeyOORFUEAEBBIGJF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.62
Rot. Bonds5

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

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide (PubChem CID 106356172) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
PubChem CID106356172
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C15H22BrNO2/c1-15(2,3)13(9-10-16)17-14(18)11-7-5-6-8-12(11)19-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)
InChIKeyOORFUEAEBBIGJF-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.62
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-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356212
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
N-butan-2-yl-2-methoxybenzamide
CID 3117660
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
2-methoxybenzohydrazide
CID 24051
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide (CID 106356172) is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(CCBr)C(C)(C)C.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
The InChIKey is OORFUEAEBBIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,3)13(9-10-16)17-14(18)11-7-5-6-8-12(11)19-4/h5-8,13H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide has a molecular weight of 328.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 106356172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).