3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide

C15H22BrNO2 — CID 78965757

IUPAC3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)C(C)(C)C)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-10(15(2,3)4)9-17-14(18)11-6-7-13(19-5)12(16)8-11/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyPIMPHLQJIFBZAD-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.87
Rot. Bonds4

About 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide

3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 78965757) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID78965757
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)C(C)(C)C)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-10(15(2,3)4)9-17-14(18)11-6-7-13(19-5)12(16)8-11/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyPIMPHLQJIFBZAD-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
3-bromo-4-methoxy-N-(2-methylsulfanylpropyl)benzamide
CID 115759468
3-bromo-N-(2-cyanopropyl)-4-methoxybenzamide
CID 55209192
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
2-bromo-5-(2,3,3-trimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 83145232
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
CID 60682140
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide (CID 78965757) is 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide is COc1ccc(C(=O)NCC(C)C(C)(C)C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is PIMPHLQJIFBZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(15(2,3)4)9-17-14(18)11-6-7-13(19-5)12(16)8-11/h6-8,10H,9H2,1-5H3,(H,17,18).
What are the key properties of 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide?
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 328.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 78965757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).