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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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluoro-4-methylphenyl)amino]ethyl}urea
CID 24768241
urea TRPV1 antagonist, 21
CID 24768243
N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 2769705
1-(2-Bromophenyl)-3-{2-[methyl(3-methylphenyl)amino]ethyl}urea
CID 24768233
1-(2-Bromophenyl)-3-{2-[(3-methylphenyl)amino]ethyl}urea
CID 24768232
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180

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).