N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide

C10H9ClN4O — CID 6788623

IUPACN-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide
SMILESCON=CC(C#N)=NNc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c1-16-13-7-10(6-12)15-14-9-4-2-8(11)3-5-9/h2-5,7,14H,1H3
InChIKeyDDNCNYFFRKHPNC-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.26
Rot. Bonds4

About N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide

N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide (PubChem CID 6788623) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide.

Molecular Properties

Compound NameN-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide
PubChem CID6788623
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC NameN-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide
SMILESCON=CC(C#N)=NNc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c1-16-13-7-10(6-12)15-14-9-4-2-8(11)3-5-9/h2-5,7,14H,1H3
InChIKeyDDNCNYFFRKHPNC-UHFFFAOYSA-N
XLogP2.26
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(4-chloroanilino)-1-methylsulfonylmethanimidoyl cyanide
CID 117063583
(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
CID 40530098
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium
CID 3457445
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
(1E)-N-(4-chloroanilino)-1-(cyclopropylmethylsulfonyl)methanimidoyl cyanide
CID 134110627
2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride
CID 175205005
(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
4-chloro-N-methoxyaniline
CID 10397071

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide?
The IUPAC name of N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide (CID 6788623) is N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide.
What is the SMILES notation for N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide?
The canonical SMILES for N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide is CON=CC(C#N)=NNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide?
The InChIKey is DDNCNYFFRKHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-16-13-7-10(6-12)15-14-9-4-2-8(11)3-5-9/h2-5,7,14H,1H3.
What are the key properties of N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide?
N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide has a molecular weight of 236.66 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide is sourced from PubChem (CID 6788623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).