4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

C29H25FN2O3 — CID 28922629

IUPAC4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1cccc(COc2cccc(/C=N\NC(=O)c3ccc(OCc4ccccc4F)cc3)c2)c1
InChIInChI=1S/C29H25FN2O3/c1-21-6-4-8-23(16-21)19-34-27-10-5-7-22(17-27)18-31-32-29(33)24-12-14-26(15-13-24)35-20-25-9-2-3-11-28(25)30/h2-18H,19-20H2,1H3,(H,32,33)/b31-18-
InChIKeyUDVOOVREHQYODE-MNBJERMJSA-N
MW468.53 g/mol
LogP6.06
Rot. Bonds9

About 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 28922629) has the molecular formula C29H25FN2O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID28922629
Molecular FormulaC29H25FN2O3
Molecular Weight468.53 g/mol
Exact Mass468.18
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1cccc(COc2cccc(/C=N\NC(=O)c3ccc(OCc4ccccc4F)cc3)c2)c1
InChIInChI=1S/C29H25FN2O3/c1-21-6-4-8-23(16-21)19-34-27-10-5-7-22(17-27)18-31-32-29(33)24-12-14-26(15-13-24)35-20-25-9-2-3-11-28(25)30/h2-18H,19-20H2,1H3,(H,32,33)/b31-18-
InChIKeyUDVOOVREHQYODE-MNBJERMJSA-N
XLogP6.06
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 56.06
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

4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126053012
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
N-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110339422

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 28922629) is 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is Cc1cccc(COc2cccc(/C=N\NC(=O)c3ccc(OCc4ccccc4F)cc3)c2)c1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is UDVOOVREHQYODE-MNBJERMJSA-N. The full InChI is InChI=1S/C29H25FN2O3/c1-21-6-4-8-23(16-21)19-34-27-10-5-7-22(17-27)18-31-32-29(33)24-12-14-26(15-13-24)35-20-25-9-2-3-11-28(25)30/h2-18H,19-20H2,1H3,(H,32,33)/b31-18-.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 468.53 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 28922629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).