N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide

C14H16F2N2O — CID 9465740

IUPACN-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H16F2N2O/c15-12-7-6-10(8-13(12)16)9-17-18-14(19)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19)/b17-9-
InChIKeyKOETZXBPADAFEG-MFOYZWKCSA-N
MW266.29 g/mol
LogP3.00
Rot. Bonds3

About N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide

N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 9465740) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID9465740
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H16F2N2O/c15-12-7-6-10(8-13(12)16)9-17-18-14(19)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19)/b17-9-
InChIKeyKOETZXBPADAFEG-MFOYZWKCSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 51061045
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]cyclohexanecarboxamide
CID 9150506

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide (CID 9465740) is N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide is O=C(N/N=C\c1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is KOETZXBPADAFEG-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-12-7-6-10(8-13(12)16)9-17-18-14(19)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide?
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 266.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 9465740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).