N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

C23H20FN3O3 — CID 8903011

IUPACN-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(NCc1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C23H20FN3O3/c24-20-11-6-9-18(13-20)16-30-21-12-5-4-10-19(21)15-26-27-23(29)22(28)25-14-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,25,28)(H,27,29)/b26-15-
InChIKeyCUEPLBCIMKRFJY-YSMPRRRNSA-N
MW405.43 g/mol
LogP3.17
Rot. Bonds7

About N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 8903011) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID8903011
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(NCc1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C23H20FN3O3/c24-20-11-6-9-18(13-20)16-30-21-12-5-4-10-19(21)15-26-27-23(29)22(28)25-14-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,25,28)(H,27,29)/b26-15-
InChIKeyCUEPLBCIMKRFJY-YSMPRRRNSA-N
XLogP3.17
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.17
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'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8903027
N-butyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903006
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 8902994
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
CID 8902643
N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930114
N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 798181
N'-[(Z)-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8929888
3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126058826
N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 51060568
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 8903011) is N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is O=C(NCc1ccccc1)C(=O)N/N=C\c1ccccc1OCc1cccc(F)c1.
What is the InChIKey of N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is CUEPLBCIMKRFJY-YSMPRRRNSA-N. The full InChI is InChI=1S/C23H20FN3O3/c24-20-11-6-9-18(13-20)16-30-21-12-5-4-10-19(21)15-26-27-23(29)22(28)25-14-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,25,28)(H,27,29)/b26-15-.
What are the key properties of N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 405.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 8903011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).