2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide

C17H18BrN3O2 — CID 54811000

IUPAC2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrN3O2/c1-12(22)21(2)16-9-7-14(8-10-16)19-11-17(23)20-15-5-3-13(18)4-6-15/h3-10,19H,11H2,1-2H3,(H,20,23)
InChIKeyDSVJEHZOQUNJMD-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.48
Rot. Bonds5

About 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide

2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide (PubChem CID 54811000) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
PubChem CID54811000
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrN3O2/c1-12(22)21(2)16-9-7-14(8-10-16)19-11-17(23)20-15-5-3-13(18)4-6-15/h3-10,19H,11H2,1-2H3,(H,20,23)
InChIKeyDSVJEHZOQUNJMD-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822163
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
CID 54811252
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-[4-[acetyl(methyl)amino]anilino]-N-butan-2-ylacetamide
CID 54811338

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide (CID 54811000) is 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide is CC(=O)N(C)c1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide?
The InChIKey is DSVJEHZOQUNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-12(22)21(2)16-9-7-14(8-10-16)19-11-17(23)20-15-5-3-13(18)4-6-15/h3-10,19H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide?
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide has a molecular weight of 376.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 54811000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).