N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide

C17H17FN2O3 — CID 2989314

IUPACN'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-14-9-7-13(8-10-14)20-17(22)16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVPROSYKXLMFXOD-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.48
Rot. Bonds5

About N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide

N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 2989314) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID2989314
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-14-9-7-13(8-10-14)20-17(22)16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVPROSYKXLMFXOD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108502509
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948303
4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55819022
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
2-(2-fluorophenyl)-N-(4-propoxyphenyl)acetamide
CID 110493409

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide (CID 2989314) is N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is VPROSYKXLMFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-14-9-7-13(8-10-14)20-17(22)16(21)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 316.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 2989314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).