N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide

C16H15N5O — CID 168609753

IUPACN,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C16H15N5O/c1-3-21(4-2)16(22)13-7-5-6-8-14(13)20-15(11-19)12(9-17)10-18/h5-8,20H,3-4H2,1-2H3
InChIKeyBRSUUEPPHLZJEF-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.41
Rot. Bonds5

About N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide

N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide (PubChem CID 168609753) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
PubChem CID168609753
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C16H15N5O/c1-3-21(4-2)16(22)13-7-5-6-8-14(13)20-15(11-19)12(9-17)10-18/h5-8,20H,3-4H2,1-2H3
InChIKeyBRSUUEPPHLZJEF-UHFFFAOYSA-N
XLogP2.41
TPSA103.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 168652158
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CID 62171276
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 47383171
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
4-[2-(diethylcarbamoyl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 47704268
2-iodo-3-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168609903
N-butyl-N-ethyl-2-(methylamino)benzamide
CID 61377458
N,N-diethyl-2-(naphthalen-1-ylamino)benzamide
CID 86200085

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide?
The IUPAC name of N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide (CID 168609753) is N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide.
What is the SMILES notation for N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide?
The canonical SMILES for N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide is CCN(CC)C(=O)c1ccccc1NC(C#N)=C(C#N)C#N.
What is the InChIKey of N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide?
The InChIKey is BRSUUEPPHLZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-3-21(4-2)16(22)13-7-5-6-8-14(13)20-15(11-19)12(9-17)10-18/h5-8,20H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide?
N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide is sourced from PubChem (CID 168609753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).