N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide

C20H15N5O3 — CID 168610870

IUPACN-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(NC(C#N)=C(C#N)C#N)c2)c1
InChIInChI=1S/C20H15N5O3/c1-27-16-6-7-19(28-2)17(9-16)25-20(26)13-4-3-5-15(8-13)24-18(12-23)14(10-21)11-22/h3-9,24H,1-2H3,(H,25,26)
InChIKeyHZMGDPDZWAKBJG-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.19
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide

N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide (PubChem CID 168610870) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
PubChem CID168610870
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(NC(C#N)=C(C#N)C#N)c2)c1
InChIInChI=1S/C20H15N5O3/c1-27-16-6-7-19(28-2)17(9-16)25-20(26)13-4-3-5-15(8-13)24-18(12-23)14(10-21)11-22/h3-9,24H,1-2H3,(H,25,26)
InChIKeyHZMGDPDZWAKBJG-UHFFFAOYSA-N
XLogP3.19
TPSA130.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606757
N-(3,4-dimethylphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168607008
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-(2,5-dimethoxyphenyl)benzamide
CID 169347008
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(4-methylphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168608026
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(5-chloro-2-methoxyphenyl)-3-(2,2-dicyanoethenylamino)benzamide
CID 168543244

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide (CID 168610870) is N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide is COc1ccc(OC)c(NC(=O)c2cccc(NC(C#N)=C(C#N)C#N)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide?
The InChIKey is HZMGDPDZWAKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-27-16-6-7-19(28-2)17(9-16)25-20(26)13-4-3-5-15(8-13)24-18(12-23)14(10-21)11-22/h3-9,24H,1-2H3,(H,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide?
N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide has a molecular weight of 373.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide is sourced from PubChem (CID 168610870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).