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

C17H16BrN3O — CID 2657318

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O/c1-21(11-13-6-8-15(18)9-7-13)12-17(22)20-16-5-3-2-4-14(16)10-19/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyUJQRXWNGOMMAJC-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.39
Rot. Bonds5

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

2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide (PubChem CID 2657318) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
PubChem CID2657318
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O/c1-21(11-13-6-8-15(18)9-7-13)12-17(22)20-16-5-3-2-4-14(16)10-19/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyUJQRXWNGOMMAJC-UHFFFAOYSA-N
XLogP3.39
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
2-(N-acetyl-4-bromoanilino)-N-(2-cyanophenyl)acetamide
CID 113173018
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide (CID 2657318) is 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide is CN(CC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide?
The InChIKey is UJQRXWNGOMMAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-21(11-13-6-8-15(18)9-7-13)12-17(22)20-16-5-3-2-4-14(16)10-19/h2-9H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide has a molecular weight of 358.24 g/mol, XLogP of 3.39, 5 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-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2657318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).