4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

C16H24BrNO2 — CID 115369210

IUPAC4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H24BrNO2/c1-15(2,3)10-16(4,5)18-14(19)12-8-7-11(17)9-13(12)20-6/h7-9H,10H2,1-6H3,(H,18,19)
InChIKeyDJJVOFHQJVFNAP-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.40
Rot. Bonds4

About 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 115369210) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID115369210
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H24BrNO2/c1-15(2,3)10-16(4,5)18-14(19)12-8-7-11(17)9-13(12)20-6/h7-9H,10H2,1-6H3,(H,18,19)
InChIKeyDJJVOFHQJVFNAP-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methoxybenzamide
CID 114010993
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106350244
[(4-bromo-2-methoxybenzoyl)amino] 2,2-dimethylpropanoate
CID 146273207
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-2-methoxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79676470
methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
CID 122146105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 115369210) is 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is COc1cc(Br)ccc1C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is DJJVOFHQJVFNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-15(2,3)10-16(4,5)18-14(19)12-8-7-11(17)9-13(12)20-6/h7-9H,10H2,1-6H3,(H,18,19).
What are the key properties of 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 342.28 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 115369210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).