N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide

C11H9BrN2O2 — CID 59418663

IUPACN-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(Br)cc1C#N
InChIInChI=1S/C11H9BrN2O2/c1-7(15)14(8(2)16)11-4-3-10(12)5-9(11)6-13/h3-5H,1-2H3
InChIKeyNUQBURSFHYOIGF-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.22
Rot. Bonds1

About N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide

N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide (PubChem CID 59418663) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
PubChem CID59418663
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC NameN-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(Br)cc1C#N
InChIInChI=1S/C11H9BrN2O2/c1-7(15)14(8(2)16)11-4-3-10(12)5-9(11)6-13/h3-5H,1-2H3
InChIKeyNUQBURSFHYOIGF-UHFFFAOYSA-N
XLogP2.22
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-cyano-N-ethylanilino)acetamide
CID 103102407
3-(4-bromo-2-cyano-N-methylanilino)-2-methylpropanoic acid
CID 114890044
2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
CID 114890848
5-bromo-2-(N,2,4-trimethylanilino)benzonitrile
CID 114890621
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
CID 114890449
5-bromo-2-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 102632143
5-bromo-2-[methyl-[3-(methylamino)propyl]amino]benzonitrile
CID 114894134
5-bromo-2-(3-cyano-N-methylanilino)benzonitrile
CID 114890310
5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
CID 114890619
N-[2-(4-bromo-2-cyanoanilino)ethyl]acetamide
CID 75519932
(4-bromo-2-cyanophenyl)urea
CID 82708837

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide?
The IUPAC name of N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide (CID 59418663) is N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide.
What is the SMILES notation for N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide?
The canonical SMILES for N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide is CC(=O)N(C(C)=O)c1ccc(Br)cc1C#N.
What is the InChIKey of N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide?
The InChIKey is NUQBURSFHYOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7(15)14(8(2)16)11-4-3-10(12)5-9(11)6-13/h3-5H,1-2H3.
What are the key properties of N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide?
N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide has a molecular weight of 281.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide is sourced from PubChem (CID 59418663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).