N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

C16H15BrCl2N2O2 — CID 100828348

IUPACN-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(N)cc(Br)c1NC(=O)COc1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2N2O2/c1-8-4-11(20)6-12(17)15(8)21-14(22)7-23-16-9(2)3-10(18)5-13(16)19/h3-6H,7,20H2,1-2H3,(H,21,22)
InChIKeyBWQAXGWPOIMDCZ-UHFFFAOYSA-N
MW418.12 g/mol
LogP4.97
Rot. Bonds4

About N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (PubChem CID 100828348) has the molecular formula C16H15BrCl2N2O2 and a molecular weight of 418.12 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
PubChem CID100828348
Molecular FormulaC16H15BrCl2N2O2
Molecular Weight418.12 g/mol
Exact Mass415.97
IUPAC NameN-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(N)cc(Br)c1NC(=O)COc1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2N2O2/c1-8-4-11(20)6-12(17)15(8)21-14(22)7-23-16-9(2)3-10(18)5-13(16)19/h3-6H,7,20H2,1-2H3,(H,21,22)
InChIKeyBWQAXGWPOIMDCZ-UHFFFAOYSA-N
XLogP4.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.12
LogP ≤ 54.97
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-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
N-(4-amino-2-chloro-6-methoxyphenyl)-2-(2-chloro-4,6-dimethylphenoxy)acetamide
CID 100829792
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 2275203
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (CID 100828348) is N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is Cc1cc(N)cc(Br)c1NC(=O)COc1c(C)cc(Cl)cc1Cl.
What is the InChIKey of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The InChIKey is BWQAXGWPOIMDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O2/c1-8-4-11(20)6-12(17)15(8)21-14(22)7-23-16-9(2)3-10(18)5-13(16)19/h3-6H,7,20H2,1-2H3,(H,21,22).
What are the key properties of N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide has a molecular weight of 418.12 g/mol, XLogP of 4.97, 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-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 100828348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).