N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide

C18H18BrNO2 — CID 10338545

IUPACN-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1Br
InChIInChI=1S/C18H18BrNO2/c1-13(2)18(21)20(12-14-7-5-4-6-8-14)17-10-9-15(22-3)11-16(17)19/h4-11H,1,12H2,2-3H3
InChIKeyDZWWZOHKZXPVAQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.57
Rot. Bonds5

About N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide

N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide (PubChem CID 10338545) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide
PubChem CID10338545
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1Br
InChIInChI=1S/C18H18BrNO2/c1-13(2)18(21)20(12-14-7-5-4-6-8-14)17-10-9-15(22-3)11-16(17)19/h4-11H,1,12H2,2-3H3
InChIKeyDZWWZOHKZXPVAQ-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.57
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

ethyl N-[4-(N-benzyl-2-bromo-4-methoxyanilino)-4-oxobutyl]-N-methylcarbamate
CID 135028311
N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide
CID 102519406
N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide
CID 102348592
N-(2-bromophenyl)-N-ethyl-2-methylprop-2-enamide
CID 168864432
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
CID 53235919
N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 174825171
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide (CID 10338545) is N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1Br.
What is the InChIKey of N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is DZWWZOHKZXPVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-13(2)18(21)20(12-14-7-5-4-6-8-14)17-10-9-15(22-3)11-16(17)19/h4-11H,1,12H2,2-3H3.
What are the key properties of N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide?
N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 360.25 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 10338545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).