N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide

C13H8ClN3O2 — CID 2804250

IUPACN-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
SMILESN#CC(=NNc1cccc(Cl)c1)C(=O)c1ccco1
InChIInChI=1S/C13H8ClN3O2/c14-9-3-1-4-10(7-9)16-17-11(8-15)13(18)12-5-2-6-19-12/h1-7,16H
InChIKeyJVXJSSDCYGXNLP-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.11
Rot. Bonds4

About N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide

N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide (PubChem CID 2804250) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound NameN-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
PubChem CID2804250
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC NameN-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide
SMILESN#CC(=NNc1cccc(Cl)c1)C(=O)c1ccco1
InChIInChI=1S/C13H8ClN3O2/c14-9-3-1-4-10(7-9)16-17-11(8-15)13(18)12-5-2-6-19-12/h1-7,16H
InChIKeyJVXJSSDCYGXNLP-UHFFFAOYSA-N
XLogP3.11
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-(3-chloroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
CID 56693581
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
(1E)-2-(4-chlorophenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 5410446
2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide
CID 78155214
N-(3-chloroanilino)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimidoyl cyanide
CID 2740325
N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
CID 587095
(1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[3-(hydroxymethyl)anilino]-2-oxoethanimidoyl cyanide
CID 71712071
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
(2Z,3Z)-1-(furan-2-yl)-3-hydrazinylidene-2-[(3-methylphenyl)hydrazinylidene]propan-1-one
CID 6525778
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 10882442
3-[(2E)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]benzoic acid
CID 16555832

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide?
The IUPAC name of N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide (CID 2804250) is N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide?
The canonical SMILES for N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide is N#CC(=NNc1cccc(Cl)c1)C(=O)c1ccco1.
What is the InChIKey of N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide?
The InChIKey is JVXJSSDCYGXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-3-1-4-10(7-9)16-17-11(8-15)13(18)12-5-2-6-19-12/h1-7,16H.
What are the key properties of N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide?
N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide has a molecular weight of 273.68 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 2804250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).