4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide

C19H16N4O — CID 47609958

IUPAC4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide
SMILESN#CC(C#N)=CNc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H16N4O/c20-12-16(13-21)14-23-18-8-6-17(7-9-18)19(24)22-11-10-15-4-2-1-3-5-15/h1-9,14,23H,10-11H2,(H,22,24)
InChIKeyDDUQFXKCQMTURM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.00
Rot. Bonds6

About 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide

4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide (PubChem CID 47609958) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide
PubChem CID47609958
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide
SMILESN#CC(C#N)=CNc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H16N4O/c20-12-16(13-21)14-23-18-8-6-17(7-9-18)19(24)22-11-10-15-4-2-1-3-5-15/h1-9,14,23H,10-11H2,(H,22,24)
InChIKeyDDUQFXKCQMTURM-UHFFFAOYSA-N
XLogP3.00
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.00
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

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide
CID 168542555
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
methyl (Z)-3-[4-(benzylcarbamoyl)anilino]-2-cyanoprop-2-enoate
CID 28640024
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
2,2-dimethyl-4-oxo-4-[4-(2-phenylethylcarbamoyl)anilino]butanoic acid
CID 119133692

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide (CID 47609958) is 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide is N#CC(C#N)=CNc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is DDUQFXKCQMTURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-12-16(13-21)14-23-18-8-6-17(7-9-18)19(24)22-11-10-15-4-2-1-3-5-15/h1-9,14,23H,10-11H2,(H,22,24).
What are the key properties of 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide?
4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 47609958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).