N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide

C16H16Br2N2O — CID 62538988

IUPACN-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2c(N)cc(Br)cc2Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-9-3-4-10(2)11(5-9)6-15(21)20-16-13(18)7-12(17)8-14(16)19/h3-5,7-8H,6,19H2,1-2H3,(H,20,21)
InChIKeyKYKNVOODUCACQK-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.59
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide

N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 62538988) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID62538988
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2c(N)cc(Br)cc2Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-9-3-4-10(2)11(5-9)6-15(21)20-16-13(18)7-12(17)8-14(16)19/h3-5,7-8H,6,19H2,1-2H3,(H,20,21)
InChIKeyKYKNVOODUCACQK-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dibromophenyl)-2-(2-methylphenyl)acetamide
CID 43548495
N-(2-amino-4,6-dibromophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80743929
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(2-amino-4,6-dibromophenyl)-2-(2-chlorophenyl)acetamide
CID 43548502
N-(2-amino-4,6-dibromophenyl)-2-(4-chlorophenyl)acetamide
CID 43548473
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
N-(2-amino-4,6-dibromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63046307
N-(2-amino-4,6-dibromophenyl)-2-methoxyacetamide
CID 61277769
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)acetamide
CID 62537999
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide (CID 62538988) is N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)Nc2c(N)cc(Br)cc2Br)c1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is KYKNVOODUCACQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-9-3-4-10(2)11(5-9)6-15(21)20-16-13(18)7-12(17)8-14(16)19/h3-5,7-8H,6,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide?
N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 412.13 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62538988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).