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

C16H17BrN2O — CID 856355

IUPAC2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-7-8-15(14(17)9-12)19-16(20)11-18-10-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyJJWOIUHMURSTBW-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.49
Rot. Bonds5

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

2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 856355) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID856355
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-7-8-15(14(17)9-12)19-16(20)11-18-10-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyJJWOIUHMURSTBW-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide (CID 856355) is 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is JJWOIUHMURSTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-7-8-15(14(17)9-12)19-16(20)11-18-10-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide?
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 856355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).