N-(3-bromophenyl)-2-cyanoacetamide

C9H7BrN2O — CID 846049

IUPACN-(3-bromophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C9H7BrN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13)
InChIKeyOJUWEMQIWPEFNO-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.30
Rot. Bonds2

About N-(3-bromophenyl)-2-cyanoacetamide

N-(3-bromophenyl)-2-cyanoacetamide (PubChem CID 846049) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-cyanoacetamide
PubChem CID846049
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC NameN-(3-bromophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C9H7BrN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13)
InChIKeyOJUWEMQIWPEFNO-UHFFFAOYSA-N
XLogP2.30
TPSA52.89 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]acetamide
CID 7303037
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-cyanoacetamide?
The IUPAC name of N-(3-bromophenyl)-2-cyanoacetamide (CID 846049) is N-(3-bromophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-cyanoacetamide?
The InChIKey is OJUWEMQIWPEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13).
What are the key properties of N-(3-bromophenyl)-2-cyanoacetamide?
N-(3-bromophenyl)-2-cyanoacetamide has a molecular weight of 239.07 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-cyanoacetamide is sourced from PubChem (CID 846049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).