(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide

C16H14ClFN2O2 — CID 7704553

IUPAC(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
SMILESC[C@H](O/N=C\c1cccc(F)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClFN2O2/c1-11(16(21)20-15-7-3-5-13(17)9-15)22-19-10-12-4-2-6-14(18)8-12/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1
InChIKeyIUFAATFXAIVECO-ORPVNXHJSA-N
MW320.75 g/mol
LogP3.86
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide

(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide (PubChem CID 7704553) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
PubChem CID7704553
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
SMILESC[C@H](O/N=C\c1cccc(F)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClFN2O2/c1-11(16(21)20-15-7-3-5-13(17)9-15)22-19-10-12-4-2-6-14(18)8-12/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1
InChIKeyIUFAATFXAIVECO-ORPVNXHJSA-N
XLogP3.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.86
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

(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704558
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704740
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
CID 7702876
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 7825887
(2S)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7702289
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7699307
N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide
CID 24511891
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide (CID 7704553) is (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide is C[C@H](O/N=C\c1cccc(F)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide?
The InChIKey is IUFAATFXAIVECO-ORPVNXHJSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-11(16(21)20-15-7-3-5-13(17)9-15)22-19-10-12-4-2-6-14(18)8-12/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide?
(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide has a molecular weight of 320.75 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7704553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).