2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide

C12H17BrN2O2 — CID 82757718

IUPAC2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(C)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9-3-4-10(13)11(7-9)15-8-12(16)14-5-6-17-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyUPJVCWAQEBPNHN-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.93
Rot. Bonds6

About 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide

2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 82757718) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID82757718
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(C)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9-3-4-10(13)11(7-9)15-8-12(16)14-5-6-17-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyUPJVCWAQEBPNHN-UHFFFAOYSA-N
XLogP1.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
2-(2-bromo-5-methylanilino)-N-(cyanomethyl)acetamide
CID 82713144
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide
CID 145260622
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 103412672

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide (CID 82757718) is 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cc(C)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is UPJVCWAQEBPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9-3-4-10(13)11(7-9)15-8-12(16)14-5-6-17-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide?
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 301.18 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82757718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).