N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide

C14H20BrNO2 — CID 114314575

IUPACN-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
SMILESCCC(C)(CBr)NC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20BrNO2/c1-5-14(3,9-15)16-13(17)11-7-6-10(2)12(8-11)18-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyMJRCOLYCCPVNJZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.30
Rot. Bonds5

About N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide

N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide (PubChem CID 114314575) 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)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
PubChem CID114314575
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
SMILESCCC(C)(CBr)NC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20BrNO2/c1-5-14(3,9-15)16-13(17)11-7-6-10(2)12(8-11)18-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyMJRCOLYCCPVNJZ-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'}

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-3-methoxy-4-methylbenzamide
CID 113275847
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-4-methylbenzamide
CID 106255437
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
CID 113275633
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 103895621
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N-(1-bromo-2-methylbutan-2-yl)-2-fluoro-6-methoxybenzamide
CID 113275585
N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 114314492
N-(1-bromo-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 114314347

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide (CID 114314575) is N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide is CCC(C)(CBr)NC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide?
The InChIKey is MJRCOLYCCPVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-5-14(3,9-15)16-13(17)11-7-6-10(2)12(8-11)18-4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide?
N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-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)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 114314575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).