N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide

C15H20FNO2 — CID 91918215

IUPACN-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C15H20FNO2/c1-11(13-5-7-19-8-6-13)15(18)17-10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10H2,1H3,(H,17,18)
InChIKeyACTQNHRCMJMAQB-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.50
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide

N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 91918215) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID91918215
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C15H20FNO2/c1-11(13-5-7-19-8-6-13)15(18)17-10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10H2,1H3,(H,17,18)
InChIKeyACTQNHRCMJMAQB-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
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-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide (CID 91918215) is N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCc1cccc(F)c1)C1CCOCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is ACTQNHRCMJMAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(13-5-7-19-8-6-13)15(18)17-10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10H2,1H3,(H,17,18).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide?
N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 265.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 91918215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).