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

C17H11FN4O — CID 26485421

IUPAC2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
SMILESN#CC(C#N)=CNc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H11FN4O/c18-13-5-7-14(8-6-13)22-17(23)15-3-1-2-4-16(15)21-11-12(9-19)10-20/h1-8,11,21H,(H,22,23)
InChIKeyWHHJRXCZKJZQLL-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.42
Rot. Bonds4

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

2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide (PubChem CID 26485421) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
PubChem CID26485421
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
SMILESN#CC(C#N)=CNc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H11FN4O/c18-13-5-7-14(8-6-13)22-17(23)15-3-1-2-4-16(15)21-11-12(9-19)10-20/h1-8,11,21H,(H,22,23)
InChIKeyWHHJRXCZKJZQLL-UHFFFAOYSA-N
XLogP3.42
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.42
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-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
1-[4-(2,2-dicyanoethenylamino)-3-fluorophenyl]-3-(4-fluorophenyl)urea
CID 168544827
2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
CID 168541901
2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide
CID 168544607
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide
CID 168542555
N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
CID 4063342
2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 47121471
2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 168542516
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide (CID 26485421) is 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide is N#CC(C#N)=CNc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide?
The InChIKey is WHHJRXCZKJZQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-5-7-14(8-6-13)22-17(23)15-3-1-2-4-16(15)21-11-12(9-19)10-20/h1-8,11,21H,(H,22,23).
What are the key properties of 2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide?
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 3.42, 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-(4-fluorophenyl)benzamide is sourced from PubChem (CID 26485421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).