N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide

C28H23FN2O3 — CID 19657831

IUPACN-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23FN2O3/c29-26-12-6-4-10-23(26)20-33-24-16-14-21(15-17-24)18-30-31-28(32)25-11-5-7-13-27(25)34-19-22-8-2-1-3-9-22/h1-18H,19-20H2,(H,31,32)/b30-18+
InChIKeyAETHFTRQBVAUHR-UXHLAJHPSA-N
MW454.50 g/mol
LogP5.75
Rot. Bonds9

About N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657831) has the molecular formula C28H23FN2O3 and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657831
Molecular FormulaC28H23FN2O3
Molecular Weight454.50 g/mol
Exact Mass454.17
IUPAC NameN-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23FN2O3/c29-26-12-6-4-10-23(26)20-33-24-16-14-21(15-17-24)18-30-31-28(32)25-11-5-7-13-27(25)34-19-22-8-2-1-3-9-22/h1-18H,19-20H2,(H,31,32)/b30-18+
InChIKeyAETHFTRQBVAUHR-UXHLAJHPSA-N
XLogP5.75
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
N-[(E)-[2-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657824
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide (CID 19657831) is N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is AETHFTRQBVAUHR-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H23FN2O3/c29-26-12-6-4-10-23(26)20-33-24-16-14-21(15-17-24)18-30-31-28(32)25-11-5-7-13-27(25)34-19-22-8-2-1-3-9-22/h1-18H,19-20H2,(H,31,32)/b30-18+.
What are the key properties of N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 454.50 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).