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

C19H16N4O — CID 168541901

IUPAC2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC=C(C#N)C#N)c(C)c1
InChIInChI=1S/C19H16N4O/c1-13-7-8-17(14(2)9-13)23-19(24)16-5-3-4-6-18(16)22-12-15(10-20)11-21/h3-9,12,22H,1-2H3,(H,23,24)
InChIKeyIIXXUYXRHKMVSG-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.90
Rot. Bonds4

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

2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide (PubChem CID 168541901) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
PubChem CID168541901
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC=C(C#N)C#N)c(C)c1
InChIInChI=1S/C19H16N4O/c1-13-7-8-17(14(2)9-13)23-19(24)16-5-3-4-6-18(16)22-12-15(10-20)11-21/h3-9,12,22H,1-2H3,(H,23,24)
InChIKeyIIXXUYXRHKMVSG-UHFFFAOYSA-N
XLogP3.90
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.90
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

2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide
CID 168544607
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
CID 26485421
methyl 2-(2,2-dicyanoethenylamino)-5-methylbenzoate
CID 168541208
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
3-chloro-2-N-(2-cyanopropan-2-yl)-1-N-(2,4-dimethylphenyl)benzene-1,2-dicarboxamide
CID 90092392
2-[(2-iodo-4-methylanilino)methylidene]propanedinitrile
CID 168541260
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857823
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108824365

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide (CID 168541901) is 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NC=C(C#N)C#N)c(C)c1.
What is the InChIKey of 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is IIXXUYXRHKMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-7-8-17(14(2)9-13)23-19(24)16-5-3-4-6-18(16)22-12-15(10-20)11-21/h3-9,12,22H,1-2H3,(H,23,24).
What are the key properties of 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide?
2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 168541901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).