2-(4-bromophenyl)-2-cyanoacetamide

C9H7BrN2O — CID 122640537

IUPAC2-(4-bromophenyl)-2-cyanoacetamide
SMILESN#CC(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-4,8H,(H2,12,13)
InChIKeyGAPTYVQENPCJFL-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.54
Rot. Bonds2

About 2-(4-bromophenyl)-2-cyanoacetamide

2-(4-bromophenyl)-2-cyanoacetamide (PubChem CID 122640537) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-cyanoacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-cyanoacetamide
PubChem CID122640537
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-(4-bromophenyl)-2-cyanoacetamide
SMILESN#CC(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-4,8H,(H2,12,13)
InChIKeyGAPTYVQENPCJFL-UHFFFAOYSA-N
XLogP1.54
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(4-bromophenyl)-2-cyanoacetate
CID 94270675
2-cyano-2-(4-phenylphenyl)acetamide
CID 22361186
(2S)-2-(4-bromophenyl)-4-methyl-3-oxopentanenitrile
CID 93260204
(2R)-2-(4-bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile
CID 86314935
(2S)-2-(4-bromophenyl)-3-oxopentanenitrile
CID 93025651
2-(4-bromophenyl)-3-(2,6-difluorophenyl)-3-oxopropanenitrile
CID 43334116
2-(4-bromophenyl)-3-(5-chlorofuran-2-yl)-3-oxopropanenitrile
CID 106687422
2-(4-bromophenyl)-2-sulfanylacetamide
CID 173431323
3-(2-bromo-5-fluorophenyl)-2-(4-bromophenyl)-3-oxopropanenitrile
CID 43334126
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
3-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)-3-oxopropanenitrile
CID 62829978
2-(4-bromophenyl)-3-(2,3-dimethylphenyl)-3-oxopropanenitrile
CID 43334122

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-cyanoacetamide?
The IUPAC name of 2-(4-bromophenyl)-2-cyanoacetamide (CID 122640537) is 2-(4-bromophenyl)-2-cyanoacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-cyanoacetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-cyanoacetamide is N#CC(C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-cyanoacetamide?
The InChIKey is GAPTYVQENPCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-4,8H,(H2,12,13).
What are the key properties of 2-(4-bromophenyl)-2-cyanoacetamide?
2-(4-bromophenyl)-2-cyanoacetamide has a molecular weight of 239.07 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-cyanoacetamide is sourced from PubChem (CID 122640537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).