2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide

C16H16Br2N2O — CID 9106742

IUPAC2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Br)cc2C)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-10-3-5-15(13(18)7-10)20-16(21)9-19-14-6-4-12(17)8-11(14)2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyBDIMRSQSIOCYBX-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.88
Rot. Bonds4

About 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide

2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 9106742) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID9106742
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Br)cc2C)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-10-3-5-15(13(18)7-10)20-16(21)9-19-14-6-4-12(17)8-11(14)2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyBDIMRSQSIOCYBX-UHFFFAOYSA-N
XLogP4.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide (CID 9106742) is 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccc(Br)cc2C)c(Br)c1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is BDIMRSQSIOCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10-3-5-15(13(18)7-10)20-16(21)9-19-14-6-4-12(17)8-11(14)2/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide?
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 412.13 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 9106742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).