2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide

C16H17BrN2O — CID 33161602

IUPAC2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-12-6-8-13(9-7-12)10-19-16(20)11-18-15-5-3-2-4-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyIYPHMVIZOAJJIZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.49
Rot. Bonds5

About 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 33161602) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID33161602
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-12-6-8-13(9-7-12)10-19-16(20)11-18-15-5-3-2-4-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyIYPHMVIZOAJJIZ-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

2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26437601
N-cyclopropyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 30635153
2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 33161602) is 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is IYPHMVIZOAJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-6-8-13(9-7-12)10-19-16(20)11-18-15-5-3-2-4-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]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-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 33161602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).