N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C21H18FN3O4 — CID 8930611

IUPACN'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)N/N=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C21H18FN3O4/c22-19-6-2-1-4-16(19)14-29-17-9-7-15(8-10-17)12-24-25-21(27)20(26)23-13-18-5-3-11-28-18/h1-12H,13-14H2,(H,23,26)(H,25,27)/b24-12-
InChIKeyWROUATYEVJAXSR-MSXFZWOLSA-N
MW395.39 g/mol
LogP2.76
Rot. Bonds7

About N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 8930611) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID8930611
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC NameN'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)N/N=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C21H18FN3O4/c22-19-6-2-1-4-16(19)14-29-17-9-7-15(8-10-17)12-24-25-21(27)20(26)23-13-18-5-3-11-28-18/h1-12H,13-14H2,(H,23,26)(H,25,27)/b24-12-
InChIKeyWROUATYEVJAXSR-MSXFZWOLSA-N
XLogP2.76
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.76
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)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 8930542
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94832505
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 9352883
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8903027

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 8930611) is N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is WROUATYEVJAXSR-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H18FN3O4/c22-19-6-2-1-4-16(19)14-29-17-9-7-15(8-10-17)12-24-25-21(27)20(26)23-13-18-5-3-11-28-18/h1-12H,13-14H2,(H,23,26)(H,25,27)/b24-12-.
What are the key properties of N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 395.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 8930611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).