N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide

C15H17ClFN3O2 — CID 5375577

IUPACN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide
SMILESO=C(N/N=C\c1c(F)cccc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C15H17ClFN3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,21)(H,20,22)/b18-9-
InChIKeyPMXBBMGWHVGWRR-NVMNQCDNSA-N
MW325.77 g/mol
LogP2.38
Rot. Bonds3

About N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide

N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide (PubChem CID 5375577) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide
PubChem CID5375577
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide
SMILESO=C(N/N=C\c1c(F)cccc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C15H17ClFN3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,21)(H,20,22)/b18-9-
InChIKeyPMXBBMGWHVGWRR-NVMNQCDNSA-N
XLogP2.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
CID 896747
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
methyl 4-[[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240896
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
N-[(2-chloro-6-fluorophenyl)methylideneamino]adamantane-1-carboxamide
CID 4683119
1-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(1,1-dioxothiolan-3-yl)thiourea
CID 2852263
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
2-[[[2-(cycloheptylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3722549
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide?
The IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide (CID 5375577) is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide.
What is the SMILES notation for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide?
The canonical SMILES for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide is O=C(N/N=C\c1c(F)cccc1Cl)C(=O)NC1CCCCC1.
What is the InChIKey of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide?
The InChIKey is PMXBBMGWHVGWRR-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,21)(H,20,22)/b18-9-.
What are the key properties of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide?
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide has a molecular weight of 325.77 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclohexyloxamide is sourced from PubChem (CID 5375577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).