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

C18H21BrN2O — CID 171702396

IUPAC2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C18H21BrN2O/c1-13-7-8-17(14(2)9-13)20-18(22)12-21(3)11-15-5-4-6-16(19)10-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyQEOCJHUFMJBAHW-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.14
Rot. Bonds5

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

2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 171702396) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID171702396
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C18H21BrN2O/c1-13-7-8-17(14(2)9-13)20-18(22)12-21(3)11-15-5-4-6-16(19)10-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyQEOCJHUFMJBAHW-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

3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide (CID 171702396) is 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is QEOCJHUFMJBAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13-7-8-17(14(2)9-13)20-18(22)12-21(3)11-15-5-4-6-16(19)10-15/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-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-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 171702396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).