N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide

C12H16BrNO2 — CID 104938678

IUPACN-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8-5-9(13)7-10(6-8)14-11(15)12(2,3)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyKLBVGNOKCLOQAG-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.12
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide

N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide (PubChem CID 104938678) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
PubChem CID104938678
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8-5-9(13)7-10(6-8)14-11(15)12(2,3)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyKLBVGNOKCLOQAG-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 107582673
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 107578023
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
CID 103028794
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
methyl 3-(3-bromo-5-methylanilino)-2,2-dimethylpropanoate
CID 107583294
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-bromo-5-methylphenyl)-2-carbamothioyl-2-ethylbutanamide
CID 107583679

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide (CID 104938678) is N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is KLBVGNOKCLOQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-5-9(13)7-10(6-8)14-11(15)12(2,3)16-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide?
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 104938678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).