N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide

C14H13ClN6 — CID 10756669

IUPACN'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(C#N)\N=C\Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN6/c1-21(2)10-20-14(8-17)13(7-16)19-9-18-12-5-3-11(15)4-6-12/h3-6,9-10H,1-2H3,(H,18,19)/b14-13-,20-10+
InChIKeyJALFHDRIDHHUIH-OUTKMQMGSA-N
MW300.75 g/mol
LogP2.63
Rot. Bonds5

About N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide

N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide (PubChem CID 10756669) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
PubChem CID10756669
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC NameN'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(C#N)=C(C#N)\N=C\Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN6/c1-21(2)10-20-14(8-17)13(7-16)19-9-18-12-5-3-11(15)4-6-12/h3-6,9-10H,1-2H3,(H,18,19)/b14-13-,20-10+
InChIKeyJALFHDRIDHHUIH-OUTKMQMGSA-N
XLogP2.63
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-2-(anilinomethylideneamino)-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide
CID 10563697
N'-[(Z)-1,2-dicyano-2-(hydrazinylmethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10703419
(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile
CID 102248601
N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide
CID 6788623
2-[[2-chloro-2-(4-chloro-2-methylphenyl)hydrazinyl]methylidene]propanedinitrile
CID 88640908
(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 780393
2-[chloro-[(E)-(4-chlorophenyl)methylideneamino]methylidene]propanedinitrile
CID 134921147
4-chloro-N-methoxyaniline
CID 10397071
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(dimethylamino)prop-2-enenitrile
CID 82116819
2-cyano-N-[(2,4-dichlorophenyl)methylideneamino]-3-(dimethylamino)prop-2-enamide
CID 3711128
(E)-3-(4-chloroanilino)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2253295

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide (CID 10756669) is N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(C#N)=C(C#N)\N=C\Nc1ccc(Cl)cc1.
What is the InChIKey of N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
The InChIKey is JALFHDRIDHHUIH-OUTKMQMGSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-21(2)10-20-14(8-17)13(7-16)19-9-18-12-5-3-11(15)4-6-12/h3-6,9-10H,1-2H3,(H,18,19)/b14-13-,20-10+.
What are the key properties of N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide?
N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide has a molecular weight of 300.75 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-[(4-chloroanilino)methylideneamino]-1,2-dicyanoethenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 10756669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).