N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide

C13H16FNO2 — CID 31963428

IUPACN-(3-fluoro-4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCOCC2)cc1F
InChIInChI=1S/C13H16FNO2/c1-9-2-3-11(8-12(9)14)15-13(16)10-4-6-17-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyBAXWICKVGLEBFN-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.50
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide

N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide (PubChem CID 31963428) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)oxane-4-carboxamide
PubChem CID31963428
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(3-fluoro-4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCOCC2)cc1F
InChIInChI=1S/C13H16FNO2/c1-9-2-3-11(8-12(9)14)15-13(16)10-4-6-17-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyBAXWICKVGLEBFN-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide (CID 31963428) is N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide is Cc1ccc(NC(=O)C2CCOCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide?
The InChIKey is BAXWICKVGLEBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-2-3-11(8-12(9)14)15-13(16)10-4-6-17-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide?
N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 31963428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).