2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide

C12H10N4O — CID 168545042

IUPAC2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide
SMILESN#CC(C#N)=CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C12H10N4O/c13-6-10(7-14)8-16-11-3-1-9(2-4-11)5-12(15)17/h1-4,8,16H,5H2,(H2,15,17)
InChIKeyJESNIWSQAVVABQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.06
Rot. Bonds4

About 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide

2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide (PubChem CID 168545042) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide
PubChem CID168545042
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide
SMILESN#CC(C#N)=CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C12H10N4O/c13-6-10(7-14)8-16-11-3-1-9(2-4-11)5-12(15)17/h1-4,8,16H,5H2,(H2,15,17)
InChIKeyJESNIWSQAVVABQ-UHFFFAOYSA-N
XLogP1.06
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
2-[[4-(pyridin-4-ylmethyl)anilino]methylidene]propanedinitrile
CID 17383264
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
methyl 5-[4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxylate
CID 168542399
2-[[4-(diethylaminomethyl)anilino]methylidene]propanedinitrile
CID 168542154
2-[(4-sulfanylanilino)methylidene]propanedinitrile
CID 168545577
propyl 4-(2,2-dicyanoethenylamino)benzoate
CID 17134916
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168542050
2-[4-(2,2-dicyanoethenylamino)phenyl]-2-methylpropanoic acid
CID 168542488
2-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]acetic acid
CID 169346937
2-[[4-(2,2,2-trifluoroethoxymethyl)anilino]methylidene]propanedinitrile
CID 168543950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide (CID 168545042) is 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide is N#CC(C#N)=CNc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide?
The InChIKey is JESNIWSQAVVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-6-10(7-14)8-16-11-3-1-9(2-4-11)5-12(15)17/h1-4,8,16H,5H2,(H2,15,17).
What are the key properties of 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide?
2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide is sourced from PubChem (CID 168545042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).