N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide

C13H16BrNO2 — CID 102519406

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H16BrNO2/c1-9(2)13(16)15(3)8-10-7-11(17-4)5-6-12(10)14/h5-7H,1,8H2,2-4H3
InChIKeyJNLJGZTVKPDXHB-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.99
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide

N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide (PubChem CID 102519406) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide
PubChem CID102519406
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H16BrNO2/c1-9(2)13(16)15(3)8-10-7-11(17-4)5-6-12(10)14/h5-7H,1,8H2,2-4H3
InChIKeyJNLJGZTVKPDXHB-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide
CID 10338545
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-2-one
CID 65323268
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide (CID 102519406) is N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)Cc1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide?
The InChIKey is JNLJGZTVKPDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9(2)13(16)15(3)8-10-7-11(17-4)5-6-12(10)14/h5-7H,1,8H2,2-4H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide?
N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide has a molecular weight of 298.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 102519406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).