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

C19H16N4O — CID 168542555

IUPAC4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(NC=C(C#N)C#N)cc1
InChIInChI=1S/C19H16N4O/c1-2-15-5-3-4-6-18(15)23-19(24)16-7-9-17(10-8-16)22-13-14(11-20)12-21/h3-10,13,22H,2H2,1H3,(H,23,24)
InChIKeyJNLLPOCUKUMRHT-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.84
Rot. Bonds5

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

4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide (PubChem CID 168542555) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide
PubChem CID168542555
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(NC=C(C#N)C#N)cc1
InChIInChI=1S/C19H16N4O/c1-2-15-5-3-4-6-18(15)23-19(24)16-7-9-17(10-8-16)22-13-14(11-20)12-21/h3-10,13,22H,2H2,1H3,(H,23,24)
InChIKeyJNLLPOCUKUMRHT-UHFFFAOYSA-N
XLogP3.84
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.84
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-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
N-[2-bromo-4-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168543965
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide
CID 47609958
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
CID 26485421
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide (CID 168542555) is 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(NC=C(C#N)C#N)cc1.
What is the InChIKey of 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide?
The InChIKey is JNLLPOCUKUMRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-15-5-3-4-6-18(15)23-19(24)16-7-9-17(10-8-16)22-13-14(11-20)12-21/h3-10,13,22H,2H2,1H3,(H,23,24).
What are the key properties of 4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide?
4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.84, 5 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-ethylphenyl)benzamide is sourced from PubChem (CID 168542555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).