N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide

C15H13FN2O3 — CID 44995864

IUPACN'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O3/c1-21-13-8-6-12(7-9-13)18-15(20)14(19)17-11-4-2-10(16)3-5-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyBUXIDPBDSUCCSV-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.41
Rot. Bonds3

About N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide

N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide (PubChem CID 44995864) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
PubChem CID44995864
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O3/c1-21-13-8-6-12(7-9-13)18-15(20)14(19)17-11-4-2-10(16)3-5-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyBUXIDPBDSUCCSV-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.41
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'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide (CID 44995864) is N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
The InChIKey is BUXIDPBDSUCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-21-13-8-6-12(7-9-13)18-15(20)14(19)17-11-4-2-10(16)3-5-11/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide has a molecular weight of 288.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 44995864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).