N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide

C14H20BrNO3 — CID 113275625

IUPACN-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20BrNO3/c1-5-14(2,9-15)16-13(17)10-6-11(18-3)8-12(7-10)19-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyYNOFMEIYAPVIAP-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.00
Rot. Bonds6

About N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide

N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide (PubChem CID 113275625) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
PubChem CID113275625
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20BrNO3/c1-5-14(2,9-15)16-13(17)10-6-11(18-3)8-12(7-10)19-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyYNOFMEIYAPVIAP-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114314575
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate
CID 30886768
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966156
N-(1-bromo-2-methylbutan-2-yl)-4-(difluoromethoxy)benzamide
CID 114314541
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
CID 113275633
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
3-bromo-N-(1-bromo-2-methylbutan-2-yl)-5-nitrobenzamide
CID 113275611
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
CID 114314292

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide (CID 113275625) is N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide is CCC(C)(CBr)NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is YNOFMEIYAPVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-5-14(2,9-15)16-13(17)10-6-11(18-3)8-12(7-10)19-4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide?
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 113275625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).