2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide

C14H19F2NO3 — CID 107318607

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCCCCCO
InChIInChI=1S/C14H19F2NO3/c15-14(16)20-12-6-4-11(5-7-12)10-13(19)17-8-2-1-3-9-18/h4-7,14,18H,1-3,8-10H2,(H,17,19)
InChIKeyGTBFZRBMGXLFJG-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.11
Rot. Bonds9

About 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide (PubChem CID 107318607) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
PubChem CID107318607
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NCCCCCO
InChIInChI=1S/C14H19F2NO3/c15-14(16)20-12-6-4-11(5-7-12)10-13(19)17-8-2-1-3-9-18/h4-7,14,18H,1-3,8-10H2,(H,17,19)
InChIKeyGTBFZRBMGXLFJG-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
CID 78808200
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
2-[4-(difluoromethoxy)phenyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448239
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 17412889
2-[4-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870205
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide (CID 107318607) is 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide is O=C(Cc1ccc(OC(F)F)cc1)NCCCCCO.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide?
The InChIKey is GTBFZRBMGXLFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c15-14(16)20-12-6-4-11(5-7-12)10-13(19)17-8-2-1-3-9-18/h4-7,14,18H,1-3,8-10H2,(H,17,19).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide has a molecular weight of 287.31 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107318607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).