2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide

C17H19BrN2O2 — CID 2657324

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O2/c1-20(11-13-3-5-14(18)6-4-13)12-17(21)19-15-7-9-16(22-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJYCIICPHCDJTDD-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.53
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 2657324) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID2657324
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O2/c1-20(11-13-3-5-14(18)6-4-13)12-17(21)19-15-7-9-16(22-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJYCIICPHCDJTDD-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 40942275
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide (CID 2657324) is 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JYCIICPHCDJTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-20(11-13-3-5-14(18)6-4-13)12-17(21)19-15-7-9-16(22-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 363.26 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2657324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).