1-(2,4-dichlorophenyl)ethylidenecyanamide

C9H6Cl2N2 — CID 10856813

IUPAC1-(2,4-dichlorophenyl)ethylidenecyanamide
SMILESC/C(=N\C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N2/c1-6(13-5-12)8-3-2-7(10)4-9(8)11/h2-4H,1H3/b13-6+
InChIKeyVYWJLDJYQCOJTF-AWNIVKPZSA-N
MW213.07 g/mol
LogP3.28
Rot. Bonds1

About 1-(2,4-dichlorophenyl)ethylidenecyanamide

1-(2,4-dichlorophenyl)ethylidenecyanamide (PubChem CID 10856813) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)ethylidenecyanamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)ethylidenecyanamide
PubChem CID10856813
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name1-(2,4-dichlorophenyl)ethylidenecyanamide
SMILESC/C(=N\C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N2/c1-6(13-5-12)8-3-2-7(10)4-9(8)11/h2-4H,1H3/b13-6+
InChIKeyVYWJLDJYQCOJTF-AWNIVKPZSA-N
XLogP3.28
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
CID 19695097
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 1483069
(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
CID 163539195
(E)-2-(2,4-dichlorophenyl)hex-2-enenitrile
CID 119088707
2-[(2,4-dichlorophenyl)-hydroxymethylidene]propanedinitrile;2-[(2,4-dichlorophenyl)-methoxymethylidene]propanedinitrile
CID 159972633
4-(2,4-dichlorophenyl)-4-oxobutanenitrile
CID 43608235
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023
2-(2,4-dichlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
CID 22365127
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)ethylidenecyanamide?
The IUPAC name of 1-(2,4-dichlorophenyl)ethylidenecyanamide (CID 10856813) is 1-(2,4-dichlorophenyl)ethylidenecyanamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)ethylidenecyanamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)ethylidenecyanamide is C/C(=N\C#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)ethylidenecyanamide?
The InChIKey is VYWJLDJYQCOJTF-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c1-6(13-5-12)8-3-2-7(10)4-9(8)11/h2-4H,1H3/b13-6+.
What are the key properties of 1-(2,4-dichlorophenyl)ethylidenecyanamide?
1-(2,4-dichlorophenyl)ethylidenecyanamide has a molecular weight of 213.07 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)ethylidenecyanamide is sourced from PubChem (CID 10856813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).