N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

C17H18Br2N2O2 — CID 50880984

IUPACN-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C17H18Br2N2O2/c1-9-5-13(20)6-10(2)16(9)21-15(22)8-23-17-11(3)4-12(18)7-14(17)19/h4-7H,8,20H2,1-3H3,(H,21,22)
InChIKeyGVNMKFQCHREYDO-UHFFFAOYSA-N
MW442.15 g/mol
LogP4.74
Rot. Bonds4

About N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide

N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 50880984) has the molecular formula C17H18Br2N2O2 and a molecular weight of 442.15 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID50880984
Molecular FormulaC17H18Br2N2O2
Molecular Weight442.15 g/mol
Exact Mass439.97
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C17H18Br2N2O2/c1-9-5-13(20)6-10(2)16(9)21-15(22)8-23-17-11(3)4-12(18)7-14(17)19/h4-7H,8,20H2,1-3H3,(H,21,22)
InChIKeyGVNMKFQCHREYDO-UHFFFAOYSA-N
XLogP4.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 100828348
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4514036
2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
CID 130156250
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 50880984) is N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is GVNMKFQCHREYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O2/c1-9-5-13(20)6-10(2)16(9)21-15(22)8-23-17-11(3)4-12(18)7-14(17)19/h4-7H,8,20H2,1-3H3,(H,21,22).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 442.15 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 50880984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).