4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile

C11H7Cl2N3 — CID 107789184

IUPAC4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(NC/C(Cl)=C\Cl)cc1C#N
InChIInChI=1S/C11H7Cl2N3/c12-4-10(13)7-16-11-2-1-8(5-14)9(3-11)6-15/h1-4,16H,7H2/b10-4+
InChIKeyXYLCEYRMNYPTRW-ONNFQVAWSA-N
MW252.10 g/mol
LogP3.16
Rot. Bonds3

About 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile

4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile (PubChem CID 107789184) has the molecular formula C11H7Cl2N3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile
PubChem CID107789184
Molecular FormulaC11H7Cl2N3
Molecular Weight252.10 g/mol
Exact Mass251.00
IUPAC Name4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(NC/C(Cl)=C\Cl)cc1C#N
InChIInChI=1S/C11H7Cl2N3/c12-4-10(13)7-16-11-2-1-8(5-14)9(3-11)6-15/h1-4,16H,7H2/b10-4+
InChIKeyXYLCEYRMNYPTRW-ONNFQVAWSA-N
XLogP3.16
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile
CID 82015391
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
CID 106437691
N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
4-[3-(dimethylamino)propylamino]benzene-1,2-dicarbonitrile
CID 114001772
3-(3,4-dicyanoanilino)propanamide
CID 107789225
N-(3,4-dicyanophenyl)methanethioamide
CID 118487331
4-[(3-bromo-4-hydroxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788143
4-(3,4-dicyanoanilino)-N-methylbutanamide
CID 114001752

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile (CID 107789184) is 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile is N#Cc1ccc(NC/C(Cl)=C\Cl)cc1C#N.
What is the InChIKey of 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile?
The InChIKey is XYLCEYRMNYPTRW-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H7Cl2N3/c12-4-10(13)7-16-11-2-1-8(5-14)9(3-11)6-15/h1-4,16H,7H2/b10-4+.
What are the key properties of 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile?
4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile has a molecular weight of 252.10 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107789184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).