4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide

C17H18BrN3O2 — CID 42069174

IUPAC4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(2)17(23)12-7-9-13(10-8-12)20-16(22)11-19-15-6-4-3-5-14(15)18/h3-10,19H,11H2,1-2H3,(H,20,22)
InChIKeyYSWHITVDRLXWIB-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.20
Rot. Bonds5

About 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 42069174) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID42069174
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(2)17(23)12-7-9-13(10-8-12)20-16(22)11-19-15-6-4-3-5-14(15)18/h3-10,19H,11H2,1-2H3,(H,20,22)
InChIKeyYSWHITVDRLXWIB-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54816290
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 42069262
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 42069174) is 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CNc2ccccc2Br)cc1.
What is the InChIKey of 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is YSWHITVDRLXWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-21(2)17(23)12-7-9-13(10-8-12)20-16(22)11-19-15-6-4-3-5-14(15)18/h3-10,19H,11H2,1-2H3,(H,20,22).
What are the key properties of 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 376.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 42069174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).