2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide

C14H18BrN3O — CID 114890848

IUPAC2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1ccc(Br)cc1C#N
InChIInChI=1S/C14H18BrN3O/c1-10(2)8-17-14(19)9-18(3)13-5-4-12(15)6-11(13)7-16/h4-6,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyJDOWGIDTTASXOD-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.53
Rot. Bonds5

About 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide

2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 114890848) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
PubChem CID114890848
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1ccc(Br)cc1C#N
InChIInChI=1S/C14H18BrN3O/c1-10(2)8-17-14(19)9-18(3)13-5-4-12(15)6-11(13)7-16/h4-6,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyJDOWGIDTTASXOD-UHFFFAOYSA-N
XLogP2.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-cyano-N-methylanilino)-2-methylpropanoic acid
CID 114890044
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
2-(5-bromo-2-cyanoanilino)-N-(2-methylpropyl)acetamide
CID 114902151
2-[(2-cyano-5-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107902919
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 107980558
N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
CID 59418663
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 82970493
5-bromo-2-[methyl-[3-(methylamino)propyl]amino]benzonitrile
CID 114894134
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 102665596

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide (CID 114890848) is 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1ccc(Br)cc1C#N.
What is the InChIKey of 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is JDOWGIDTTASXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10(2)8-17-14(19)9-18(3)13-5-4-12(15)6-11(13)7-16/h4-6,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide?
2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 324.22 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 114890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).