N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide

C16H15F2N3O4 — CID 9352954

IUPACN'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)NCc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H15F2N3O4/c1-10(11-4-2-5-12(8-11)25-16(17)18)20-21-15(23)14(22)19-9-13-6-3-7-24-13/h2-8,16H,9H2,1H3,(H,19,22)(H,21,23)/b20-10-
InChIKeyJBPBRUYQRRPXJD-JMIUGGIZSA-N
MW351.31 g/mol
LogP2.04
Rot. Bonds6

About N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 9352954) has the molecular formula C16H15F2N3O4 and a molecular weight of 351.31 g/mol. Its IUPAC name is N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID9352954
Molecular FormulaC16H15F2N3O4
Molecular Weight351.31 g/mol
Exact Mass351.10
IUPAC NameN'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)NCc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H15F2N3O4/c1-10(11-4-2-5-12(8-11)25-16(17)18)20-21-15(23)14(22)19-9-13-6-3-7-24-13/h2-8,16H,9H2,1H3,(H,19,22)(H,21,23)/b20-10-
InChIKeyJBPBRUYQRRPXJD-JMIUGGIZSA-N
XLogP2.04
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.04
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

N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575936
N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9028674
furan-2-ylmethyl 3-(difluoromethoxy)benzoate
CID 2309813
N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide
CID 9352942
3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 49480441
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
N'-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352968
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6218177
N-(furan-2-ylmethyl)acetamide
CID 2394850

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 9352954) is N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide is C/C(=N/NC(=O)C(=O)NCc1ccco1)c1cccc(OC(F)F)c1.
What is the InChIKey of N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is JBPBRUYQRRPXJD-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H15F2N3O4/c1-10(11-4-2-5-12(8-11)25-16(17)18)20-21-15(23)14(22)19-9-13-6-3-7-24-13/h2-8,16H,9H2,1H3,(H,19,22)(H,21,23)/b20-10-.
What are the key properties of N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 351.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 9352954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).