N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide

C14H14ClN5O — CID 4249266

IUPACN-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
SMILESN#CC(=NNc1ccc(Cl)cc1)C(=O)NN=C1CCCC1
InChIInChI=1S/C14H14ClN5O/c15-10-5-7-12(8-6-10)17-19-13(9-16)14(21)20-18-11-3-1-2-4-11/h5-8,17H,1-4H2,(H,20,21)
InChIKeyBAKHRTMHCDSCBB-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.68
Rot. Bonds4

About N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide

N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide (PubChem CID 4249266) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound NameN-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
PubChem CID4249266
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC NameN-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
SMILESN#CC(=NNc1ccc(Cl)cc1)C(=O)NN=C1CCCC1
InChIInChI=1S/C14H14ClN5O/c15-10-5-7-12(8-6-10)17-19-13(9-16)14(21)20-18-11-3-1-2-4-11/h5-8,17H,1-4H2,(H,20,21)
InChIKeyBAKHRTMHCDSCBB-UHFFFAOYSA-N
XLogP2.68
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
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)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide
CID 2844400
ethyl 4-[[2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]amino]benzoate
CID 155490539
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
CID 587095
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
CID 6266505
[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium
CID 3457445
(1E)-N-(4-chloroanilino)-1-methylsulfonylmethanimidoyl cyanide
CID 117063583
4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
CID 780477
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylideneamino)acetamide
CID 9121559

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide?
The IUPAC name of N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide (CID 4249266) is N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide?
The canonical SMILES for N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide is N#CC(=NNc1ccc(Cl)cc1)C(=O)NN=C1CCCC1.
What is the InChIKey of N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide?
The InChIKey is BAKHRTMHCDSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c15-10-5-7-12(8-6-10)17-19-13(9-16)14(21)20-18-11-3-1-2-4-11/h5-8,17H,1-4H2,(H,20,21).
What are the key properties of N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide?
N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide has a molecular weight of 303.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 4249266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).