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

C20H22FN3O3 — CID 8930390

IUPACN'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C\c1ccccc1OCc1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-14(2)11-22-19(25)20(26)24-23-12-15-7-4-6-10-18(15)27-13-16-8-3-5-9-17(16)21/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)(H,24,26)/b23-12-
InChIKeyAIFHJDWBTVCDED-FMCGGJTJSA-N
MW371.41 g/mol
LogP2.63
Rot. Bonds7

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

N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 8930390) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID8930390
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C\c1ccccc1OCc1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-14(2)11-22-19(25)20(26)24-23-12-15-7-4-6-10-18(15)27-13-16-8-3-5-9-17(16)21/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)(H,24,26)/b23-12-
InChIKeyAIFHJDWBTVCDED-FMCGGJTJSA-N
XLogP2.63
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.63
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-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8930437
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126175058
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N'-[(Z)-[2-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126168554
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 1231188
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
CID 8902643
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide (CID 8930390) is N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)N/N=C\c1ccccc1OCc1ccccc1F.
What is the InChIKey of N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is AIFHJDWBTVCDED-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-14(2)11-22-19(25)20(26)24-23-12-15-7-4-6-10-18(15)27-13-16-8-3-5-9-17(16)21/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)(H,24,26)/b23-12-.
What are the key properties of N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 371.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 8930390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).