(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide

C23H21FN2O3 — CID 7275620

IUPAC(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-17(29-22-5-3-2-4-6-22)23(27)26-25-15-18-9-13-21(14-10-18)28-16-19-7-11-20(24)12-8-19/h2-15,17H,16H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyDLFBJOSVLNPMMH-QGZVFWFLSA-N
MW392.43 g/mol
LogP4.32
Rot. Bonds8

About (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide

(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide (PubChem CID 7275620) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
PubChem CID7275620
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-17(29-22-5-3-2-4-6-22)23(27)26-25-15-18-9-13-21(14-10-18)28-16-19-7-11-20(24)12-8-19/h2-15,17H,16H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyDLFBJOSVLNPMMH-QGZVFWFLSA-N
XLogP4.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.32
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

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4193307
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3999202
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
1-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5227027
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
CID 6821492
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide (CID 7275620) is (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide?
The InChIKey is DLFBJOSVLNPMMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-17(29-22-5-3-2-4-6-22)23(27)26-25-15-18-9-13-21(14-10-18)28-16-19-7-11-20(24)12-8-19/h2-15,17H,16H2,1H3,(H,26,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide?
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide has a molecular weight of 392.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide is sourced from PubChem (CID 7275620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).