N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H17FN2O2 — CID 573095

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-16(9-13-20)14-23-24-21(25)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25)
InChIKeyFTSFVKXASCHXRC-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.17
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 573095) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID573095
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-16(9-13-20)14-23-24-21(25)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25)
InChIKeyFTSFVKXASCHXRC-UHFFFAOYSA-N
XLogP4.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 573095) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is FTSFVKXASCHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-16(9-13-20)14-23-24-21(25)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 348.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 573095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).