N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide

C14H20FNO2 — CID 122551342

IUPACN-[2-[(3-fluorophenyl)methoxy]butyl]propanamide
SMILESCCC(=O)NCC(CC)OCc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-13(9-16-14(17)4-2)18-10-11-6-5-7-12(15)8-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyZGGDLJISEFWOOA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.65
Rot. Bonds7

About N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide

N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide (PubChem CID 122551342) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)methoxy]butyl]propanamide
PubChem CID122551342
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[2-[(3-fluorophenyl)methoxy]butyl]propanamide
SMILESCCC(=O)NCC(CC)OCc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-13(9-16-14(17)4-2)18-10-11-6-5-7-12(15)8-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyZGGDLJISEFWOOA-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide?
The IUPAC name of N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide (CID 122551342) is N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide.
What is the SMILES notation for N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide?
The canonical SMILES for N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide is CCC(=O)NCC(CC)OCc1cccc(F)c1.
What is the InChIKey of N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide?
The InChIKey is ZGGDLJISEFWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-13(9-16-14(17)4-2)18-10-11-6-5-7-12(15)8-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide?
N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide has a molecular weight of 253.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide is sourced from PubChem (CID 122551342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).