2-(3-fluorophenoxy)-N-pentylacetamide

C13H18FNO2 — CID 110756252

IUPAC2-(3-fluorophenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-2-3-4-8-15-13(16)10-17-12-7-5-6-11(14)9-12/h5-7,9H,2-4,8,10H2,1H3,(H,15,16)
InChIKeyBWGLXJBTNGLLAF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.51
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-pentylacetamide

2-(3-fluorophenoxy)-N-pentylacetamide (PubChem CID 110756252) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-pentylacetamide
PubChem CID110756252
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(3-fluorophenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-2-3-4-8-15-13(16)10-17-12-7-5-6-11(14)9-12/h5-7,9H,2-4,8,10H2,1H3,(H,15,16)
InChIKeyBWGLXJBTNGLLAF-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
1-butyl-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 9469236
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-pentylacetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-pentylacetamide (CID 110756252) is 2-(3-fluorophenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-pentylacetamide?
The InChIKey is BWGLXJBTNGLLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-3-4-8-15-13(16)10-17-12-7-5-6-11(14)9-12/h5-7,9H,2-4,8,10H2,1H3,(H,15,16).
What are the key properties of 2-(3-fluorophenoxy)-N-pentylacetamide?
2-(3-fluorophenoxy)-N-pentylacetamide has a molecular weight of 239.29 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-pentylacetamide is sourced from PubChem (CID 110756252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).