2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide

C10H13BrN2O — CID 28794580

IUPAC2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CN)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-3-4-9(8(11)5-7)13(2)10(14)6-12/h3-5H,6,12H2,1-2H3
InChIKeyVEMWBLMIAFWTIR-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.68
Rot. Bonds2

About 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide

2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide (PubChem CID 28794580) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide
PubChem CID28794580
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CN)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-3-4-9(8(11)5-7)13(2)10(14)6-12/h3-5H,6,12H2,1-2H3
InChIKeyVEMWBLMIAFWTIR-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 82492268
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
3-[N-(2-aminoethyl)-2-bromo-4-methylanilino]propanoic acid
CID 117013459
N-(2-bromo-4-methylphenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135071666
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
2-amino-1-[2-(dimethylamino)-5-methylphenyl]ethanone
CID 117283238
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide (CID 28794580) is 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide is Cc1ccc(N(C)C(=O)CN)c(Br)c1.
What is the InChIKey of 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide?
The InChIKey is VEMWBLMIAFWTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-3-4-9(8(11)5-7)13(2)10(14)6-12/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide?
2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide has a molecular weight of 257.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 28794580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).