N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide

C17H15N3O — CID 163975172

IUPACN-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=Cc2ccc(N)cc2C#N)cc1
InChIInChI=1S/C17H15N3O/c1-12(21)20-17-8-3-13(4-9-17)2-5-14-6-7-16(19)10-15(14)11-18/h2-10H,19H2,1H3,(H,20,21)
InChIKeySTLMPNOLPVUZGS-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.27
Rot. Bonds3

About N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide

N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide (PubChem CID 163975172) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide
PubChem CID163975172
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=Cc2ccc(N)cc2C#N)cc1
InChIInChI=1S/C17H15N3O/c1-12(21)20-17-8-3-13(4-9-17)2-5-14-6-7-16(19)10-15(14)11-18/h2-10H,19H2,1H3,(H,20,21)
InChIKeySTLMPNOLPVUZGS-UHFFFAOYSA-N
XLogP3.27
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
CID 154087264
N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
CID 67930388
5-amino-2-(3-oxoprop-1-enyl)benzonitrile
CID 169459046
acetyl acetate;5-amino-2-bromobenzonitrile;N-(4-bromo-3-cyanophenyl)acetamide
CID 159564132
4-amino-N-(4-aminophenyl)-2-cyanobenzamide
CID 19689750
N-(3,4-dicyanophenyl)acetamide
CID 12938829
5-amino-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid
CID 19734786
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
N-[4-[2-(2,4-diaminophenyl)ethynyl]phenyl]acetamide
CID 163487445
[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
CID 69333705

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide (CID 163975172) is N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(C=Cc2ccc(N)cc2C#N)cc1.
What is the InChIKey of N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide?
The InChIKey is STLMPNOLPVUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12(21)20-17-8-3-13(4-9-17)2-5-14-6-7-16(19)10-15(14)11-18/h2-10H,19H2,1H3,(H,20,21).
What are the key properties of N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide?
N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-amino-2-cyanophenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 163975172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).