N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C17H16ClFN2O2 — CID 7704591

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C\c1cccc(F)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-15-6-4-13(5-7-15)8-9-20-17(22)12-23-21-11-14-2-1-3-16(19)10-14/h1-7,10-11H,8-9,12H2,(H,20,22)/b21-11-
InChIKeyLICMRJHSYAJDJI-NHDPSOOVSA-N
MW334.78 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704591) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704591
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C\c1cccc(F)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-15-6-4-13(5-7-15)8-9-20-17(22)12-23-21-11-14-2-1-3-16(19)10-14/h1-7,10-11H,8-9,12H2,(H,20,22)/b21-11-
InChIKeyLICMRJHSYAJDJI-NHDPSOOVSA-N
XLogP3.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.19
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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704527
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8021262
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
(E)-3-(3-fluorophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 7916981
N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide
CID 3512806
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704591) is N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is O=C(CO/N=C\c1cccc(F)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is LICMRJHSYAJDJI-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-15-6-4-13(5-7-15)8-9-20-17(22)12-23-21-11-14-2-1-3-16(19)10-14/h1-7,10-11H,8-9,12H2,(H,20,22)/b21-11-.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 334.78 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).