N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide

C18H20BrNO3 — CID 9416450

IUPACN-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-20(12-13-4-7-15(19)8-5-13)18(21)11-14-6-9-16(22-2)17(10-14)23-3/h4-10H,11-12H2,1-3H3
InChIKeyAJYVLOIYVZFUPW-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.67
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide

N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide (PubChem CID 9416450) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
PubChem CID9416450
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-20(12-13-4-7-15(19)8-5-13)18(21)11-14-6-9-16(22-2)17(10-14)23-3/h4-10H,11-12H2,1-3H3
InChIKeyAJYVLOIYVZFUPW-UHFFFAOYSA-N
XLogP3.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
2-(4-bromo-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 28632911
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide (CID 9416450) is N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is AJYVLOIYVZFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-20(12-13-4-7-15(19)8-5-13)18(21)11-14-6-9-16(22-2)17(10-14)23-3/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide?
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 378.27 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 9416450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).