2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

C18H21BrN2O — CID 2657308

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c1C
InChIInChI=1S/C18H21BrN2O/c1-13-5-4-6-17(14(13)2)20-18(22)12-21(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyASYLSKVAQPVGOS-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.14
Rot. Bonds5

About 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 2657308) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID2657308
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c1C
InChIInChI=1S/C18H21BrN2O/c1-13-5-4-6-17(14(13)2)20-18(22)12-21(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyASYLSKVAQPVGOS-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 31374291
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 2657308) is 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c1C.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ASYLSKVAQPVGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13-5-4-6-17(14(13)2)20-18(22)12-21(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 2657308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).