N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide

C24H22FN3O3 — CID 19661116

IUPACN-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)NCc1ccccc1)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O3/c1-17(27-28-24(30)23(29)26-15-18-5-3-2-4-6-18)20-9-13-22(14-10-20)31-16-19-7-11-21(25)12-8-19/h2-14H,15-16H2,1H3,(H,26,29)(H,28,30)/b27-17+
InChIKeyOBJVSHWBFROMHW-WPWMEQJKSA-N
MW419.46 g/mol
LogP3.56
Rot. Bonds7

About N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide

N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide (PubChem CID 19661116) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
PubChem CID19661116
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)NCc1ccccc1)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O3/c1-17(27-28-24(30)23(29)26-15-18-5-3-2-4-6-18)20-9-13-22(14-10-20)31-16-19-7-11-21(25)12-8-19/h2-14H,15-16H2,1H3,(H,26,29)(H,28,30)/b27-17+
InChIKeyOBJVSHWBFROMHW-WPWMEQJKSA-N
XLogP3.56
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.56
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-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
methyl 2-[[2-[2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4671660
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
CID 24672965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The IUPAC name of N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide (CID 19661116) is N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)NCc1ccccc1)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The InChIKey is OBJVSHWBFROMHW-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-17(27-28-24(30)23(29)26-15-18-5-3-2-4-6-18)20-9-13-22(14-10-20)31-16-19-7-11-21(25)12-8-19/h2-14H,15-16H2,1H3,(H,26,29)(H,28,30)/b27-17+.
What are the key properties of N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide has a molecular weight of 419.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19661116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).