N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide

C14H17ClN2O — CID 5427449

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)/b16-10-
InChIKeyXLAAOLWBQADMOP-YBEGLDIGSA-N
MW264.76 g/mol
LogP3.37
Rot. Bonds3

About N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide

N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 5427449) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID5427449
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)/b16-10-
InChIKeyXLAAOLWBQADMOP-YBEGLDIGSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.37
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-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
1-[(4-chlorophenyl)methyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidin-1-ium-4-carboxamide
CID 7759240
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 51061045
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide (CID 5427449) is N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide is O=C(N/N=C\c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is XLAAOLWBQADMOP-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 5427449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).