[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate

C14H17FN2O2 — CID 19292035

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
SMILESN/C(=N\OC(=O)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c15-12-8-6-10(7-9-12)13(16)17-19-14(18)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,16,17)
InChIKeySPGIECBQPWYYMU-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.57
Rot. Bonds3

About [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate (PubChem CID 19292035) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
PubChem CID19292035
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
SMILESN/C(=N\OC(=O)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c15-12-8-6-10(7-9-12)13(16)17-19-14(18)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,16,17)
InChIKeySPGIECBQPWYYMU-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 19292032
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
CID 19292023
[[1-[4-[4-[2-(cyclohexanecarbonyloxyimino)propanoyl]phenyl]phenyl]-1-oxopropan-2-ylidene]amino] cyclohexanecarboxylate
CID 142736811
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19291930
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate
CID 2910703
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
CID 19296203
[(E)-[(4-fluorophenyl)-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate
CID 40549783
(E)-3-cyclohexyl-3-(4-fluorophenyl)prop-2-enoic acid
CID 51712108
[4-[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] cyclohexanecarboxylate
CID 96883038
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate (CID 19292035) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate is N/C(=N\OC(=O)C1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate?
The InChIKey is SPGIECBQPWYYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-12-8-6-10(7-9-12)13(16)17-19-14(18)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,16,17).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate is sourced from PubChem (CID 19292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).