[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate

C15H19ClN2O3 — CID 19296203

IUPAC[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
SMILESCOc1ccc(Cl)cc1/C(N)=N/OC(=O)C1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c1-20-13-8-7-11(16)9-12(13)14(17)18-21-15(19)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,17,18)
InChIKeyZKZBILWDSRSYKY-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.09
Rot. Bonds4

About [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate

[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate (PubChem CID 19296203) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
PubChem CID19296203
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
SMILESCOc1ccc(Cl)cc1/C(N)=N/OC(=O)C1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c1-20-13-8-7-11(16)9-12(13)14(17)18-21-15(19)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,17,18)
InChIKeyZKZBILWDSRSYKY-UHFFFAOYSA-N
XLogP3.09
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
5-chloro-N-(N'-cyclohexylcarbamimidoyl)-2-methoxybenzamide
CID 4176736
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19296098
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
CID 3130760
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19295940
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19295965
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 19296067

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate?
The IUPAC name of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate (CID 19296203) is [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate.
What is the SMILES notation for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate?
The canonical SMILES for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate is COc1ccc(Cl)cc1/C(N)=N/OC(=O)C1CCCCC1.
What is the InChIKey of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate?
The InChIKey is ZKZBILWDSRSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-20-13-8-7-11(16)9-12(13)14(17)18-21-15(19)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,17,18).
What are the key properties of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate?
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate has a molecular weight of 310.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate is sourced from PubChem (CID 19296203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).