N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide

C17H17FN2O3 — CID 3691945

IUPACN-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-23-15-4-2-3-14(11-15)20-17(22)16(21)19-10-9-12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyROMZMJGENGQROZ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide

N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide (PubChem CID 3691945) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
PubChem CID3691945
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-23-15-4-2-3-14(11-15)20-17(22)16(21)19-10-9-12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyROMZMJGENGQROZ-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide (CID 3691945) is N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
The InChIKey is ROMZMJGENGQROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-4-2-3-14(11-15)20-17(22)16(21)19-10-9-12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide?
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide has a molecular weight of 316.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 3691945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).