(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide

C17H14ClF3N2O3 — CID 7662671

IUPAC(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide
SMILESC[C@@H](O/N=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClF3N2O3/c1-10(16(24)23-15-7-4-12(19)8-14(15)18)26-22-9-11-2-5-13(6-3-11)25-17(20)21/h2-10,17H,1H3,(H,23,24)/b22-9-/t10-/m1/s1
InChIKeyVSTBKMGGBBFFBC-SVTCXGMLSA-N
MW386.76 g/mol
LogP4.46
Rot. Bonds7

About (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide

(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide (PubChem CID 7662671) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide
PubChem CID7662671
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide
SMILESC[C@@H](O/N=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClF3N2O3/c1-10(16(24)23-15-7-4-12(19)8-14(15)18)26-22-9-11-2-5-13(6-3-11)25-17(20)21/h2-10,17H,1H3,(H,23,24)/b22-9-/t10-/m1/s1
InChIKeyVSTBKMGGBBFFBC-SVTCXGMLSA-N
XLogP4.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.46
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'}

Analyze (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]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

(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704558
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
CID 7705437
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
CID 7701109
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486141
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 7852975
N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669670
methyl 4-[(E)-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxyiminomethyl]benzoate
CID 24511676
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide (CID 7662671) is (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide is C[C@@H](O/N=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide?
The InChIKey is VSTBKMGGBBFFBC-SVTCXGMLSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-10(16(24)23-15-7-4-12(19)8-14(15)18)26-22-9-11-2-5-13(6-3-11)25-17(20)21/h2-10,17H,1H3,(H,23,24)/b22-9-/t10-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide?
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide has a molecular weight of 386.76 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide is sourced from PubChem (CID 7662671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).