N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide

C14H15F2N3O4 — CID 9352689

IUPACN-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1OC(F)F
InChIInChI=1S/C14H15F2N3O4/c1-22-10-5-2-8(6-11(10)23-14(15)16)7-17-19-13(21)12(20)18-9-3-4-9/h2,5-7,9,14H,3-4H2,1H3,(H,18,20)(H,19,21)/b17-7-
InChIKeyJTTRKZAQKDQMAK-IDUWFGFVSA-N
MW327.29 g/mol
LogP1.03
Rot. Bonds6

About N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide (PubChem CID 9352689) has the molecular formula C14H15F2N3O4 and a molecular weight of 327.29 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
PubChem CID9352689
Molecular FormulaC14H15F2N3O4
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC NameN-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1OC(F)F
InChIInChI=1S/C14H15F2N3O4/c1-22-10-5-2-8(6-11(10)23-14(15)16)7-17-19-13(21)12(20)18-9-3-4-9/h2,5-7,9,14H,3-4H2,1H3,(H,18,20)(H,19,21)/b17-7-
InChIKeyJTTRKZAQKDQMAK-IDUWFGFVSA-N
XLogP1.03
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
N-cyclopropyl-N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
CID 9352177
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
2-(1-adamantyl)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9122728
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8899268
N-cyclopropyl-N'-[(Z)-[4-[2-(4-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126269134
N-cyclopropyl-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126279501
2-[4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 8990084
N-cyclopropyl-N'-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]oxamide
CID 9352723
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
N-cyclopropyl-N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
CID 135813870

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide (CID 9352689) is N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide is COc1ccc(/C=N\NC(=O)C(=O)NC2CC2)cc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide?
The InChIKey is JTTRKZAQKDQMAK-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H15F2N3O4/c1-22-10-5-2-8(6-11(10)23-14(15)16)7-17-19-13(21)12(20)18-9-3-4-9/h2,5-7,9,14H,3-4H2,1H3,(H,18,20)(H,19,21)/b17-7-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide has a molecular weight of 327.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide is sourced from PubChem (CID 9352689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).