N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide

C18H16FN3O3 — CID 73168459

IUPACN'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O3/c1-25-16(12-6-4-7-14(19)9-12)11-21-17(23)18(24)22-15-8-3-2-5-13(15)10-20/h2-9,16H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyGWLLKVLJXKNEMT-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.14
Rot. Bonds5

About N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide

N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide (PubChem CID 73168459) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
PubChem CID73168459
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O3/c1-25-16(12-6-4-7-14(19)9-12)11-21-17(23)18(24)22-15-8-3-2-5-13(15)10-20/h2-9,16H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyGWLLKVLJXKNEMT-UHFFFAOYSA-N
XLogP2.14
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2-cyanophenyl)oxamide
CID 90623942
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 99876513
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide (CID 73168459) is N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide is COC(CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc(F)c1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
The InChIKey is GWLLKVLJXKNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-25-16(12-6-4-7-14(19)9-12)11-21-17(23)18(24)22-15-8-3-2-5-13(15)10-20/h2-9,16H,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide has a molecular weight of 341.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide is sourced from PubChem (CID 73168459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).