N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide

C15H13F2N3O3 — CID 9352980

IUPACN'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)NCc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2N3O3/c1-9(12-5-4-10(16)7-13(12)17)19-20-15(22)14(21)18-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,18,21)(H,20,22)/b19-9-
InChIKeyAYSGQAABRYRTJZ-OCKHKDLRSA-N
MW321.28 g/mol
LogP1.71
Rot. Bonds4

About N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 9352980) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID9352980
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC NameN'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)NCc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2N3O3/c1-9(12-5-4-10(16)7-13(12)17)19-20-15(22)14(21)18-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,18,21)(H,20,22)/b19-9-
InChIKeyAYSGQAABRYRTJZ-OCKHKDLRSA-N
XLogP1.71
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575936
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9028674
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 9352980) is N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide is C/C(=N/NC(=O)C(=O)NCc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is AYSGQAABRYRTJZ-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-9(12-5-4-10(16)7-13(12)17)19-20-15(22)14(21)18-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,18,21)(H,20,22)/b19-9-.
What are the key properties of N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 321.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 9352980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).