N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide

C15H13BrCl2N2O — CID 116813505

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
SMILESCc1cc(N)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-8-4-10(16)15(13(19)5-8)20-14(21)7-9-2-3-11(17)12(18)6-9/h2-6H,7,19H2,1H3,(H,20,21)
InChIKeyHQCVKGTXBDLOLJ-UHFFFAOYSA-N
MW388.09 g/mol
LogP4.83
Rot. Bonds3

About N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide

N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 116813505) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID116813505
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
SMILESCc1cc(N)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-8-4-10(16)15(13(19)5-8)20-14(21)7-9-2-3-11(17)12(18)6-9/h2-6H,7,19H2,1H3,(H,20,21)
InChIKeyHQCVKGTXBDLOLJ-UHFFFAOYSA-N
XLogP4.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.09
LogP ≤ 54.83
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-(3,4-dichlorophenyl)acetamide
CID 63046307
N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 116813640
N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
CID 116813427
N-(2-amino-4,6-dibromophenyl)-2-(4-chlorophenyl)acetamide
CID 43548473
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
N-(4-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 65498948
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725051
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide (CID 116813505) is N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide is Cc1cc(N)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is HQCVKGTXBDLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-8-4-10(16)15(13(19)5-8)20-14(21)7-9-2-3-11(17)12(18)6-9/h2-6H,7,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide?
N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 388.09 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 116813505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).