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

C17H17FN2O2 — CID 2272090

IUPACN'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-13-5-3-4-6-15(13)20-17(22)16(21)19-11-12-7-9-14(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyNMCCEODOAUANOS-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.64
Rot. Bonds4

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

N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 2272090) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID2272090
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-13-5-3-4-6-15(13)20-17(22)16(21)19-11-12-7-9-14(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyNMCCEODOAUANOS-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide (CID 2272090) is N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide is CCc1ccccc1NC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is NMCCEODOAUANOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-13-5-3-4-6-15(13)20-17(22)16(21)19-11-12-7-9-14(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 300.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 2272090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).