N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide

C14H20BrNO2 — CID 113275633

IUPACN-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20BrNO2/c1-5-14(3,9-15)16-13(17)11-8-10(2)6-7-12(11)18-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyKOYAXULOHPBBHP-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.30
Rot. Bonds5

About N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide

N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide (PubChem CID 113275633) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
PubChem CID113275633
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20BrNO2/c1-5-14(3,9-15)16-13(17)11-8-10(2)6-7-12(11)18-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyKOYAXULOHPBBHP-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide 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

2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114314575
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
CID 62504212
N-(1-bromo-2-methylbutan-2-yl)-2-fluoro-6-methoxybenzamide
CID 113275585
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
CID 103843624
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide (CID 113275633) is N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide is CCC(C)(CBr)NC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is KOYAXULOHPBBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-5-14(3,9-15)16-13(17)11-8-10(2)6-7-12(11)18-4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide?
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 113275633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).