(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide

C19H21FN2O5 — CID 7919078

IUPAC(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1cc(/C=N\O[C@H](C)C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C19H21FN2O5/c1-12(19(23)22-15-8-6-5-7-14(15)20)27-21-11-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-12H,1-4H3,(H,22,23)/b21-11-/t12-/m1/s1
InChIKeyXNSJXFZDEOEBDS-UORWWSPDSA-N
MW376.38 g/mol
LogP3.23
Rot. Bonds8

About (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide

(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide (PubChem CID 7919078) has the molecular formula C19H21FN2O5 and a molecular weight of 376.38 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
PubChem CID7919078
Molecular FormulaC19H21FN2O5
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1cc(/C=N\O[C@H](C)C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C19H21FN2O5/c1-12(19(23)22-15-8-6-5-7-14(15)20)27-21-11-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-12H,1-4H3,(H,22,23)/b21-11-/t12-/m1/s1
InChIKeyXNSJXFZDEOEBDS-UORWWSPDSA-N
XLogP3.23
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 8605242
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(4-fluorophenyl)propanamide
CID 7703063
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
CID 7702876
(2R)-2-(2,6-dimethoxy-4-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 7695674
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 24511825
2-fluoro-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 164513023
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726481
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7704240
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide (CID 7919078) is (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide is COc1cc(/C=N\O[C@H](C)C(=O)Nc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is XNSJXFZDEOEBDS-UORWWSPDSA-N. The full InChI is InChI=1S/C19H21FN2O5/c1-12(19(23)22-15-8-6-5-7-14(15)20)27-21-11-13-9-16(24-2)18(26-4)17(10-13)25-3/h5-12H,1-4H3,(H,22,23)/b21-11-/t12-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide?
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 376.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7919078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).