N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide

C20H24FNO2 — CID 90599094

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide
SMILESCOC(C)(CNC(=O)CCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H24FNO2/c1-20(24-2,17-12-6-7-13-18(17)21)15-22-19(23)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3,(H,22,23)
InChIKeyRSWBUFAHEGGRDY-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.83
Rot. Bonds8

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide (PubChem CID 90599094) has the molecular formula C20H24FNO2 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide
PubChem CID90599094
Molecular FormulaC20H24FNO2
Molecular Weight329.41 g/mol
Exact Mass329.18
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide
SMILESCOC(C)(CNC(=O)CCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H24FNO2/c1-20(24-2,17-12-6-7-13-18(17)21)15-22-19(23)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3,(H,22,23)
InChIKeyRSWBUFAHEGGRDY-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide (CID 90599094) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide is COC(C)(CNC(=O)CCCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide?
The InChIKey is RSWBUFAHEGGRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-20(24-2,17-12-6-7-13-18(17)21)15-22-19(23)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide has a molecular weight of 329.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-phenylbutanamide is sourced from PubChem (CID 90599094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).