2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide

C12H16FNO3 — CID 58756727

IUPAC2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCO
InChIInChI=1S/C12H16FNO3/c13-11-4-2-10(3-5-11)8-17-9-12(16)14-6-1-7-15/h2-5,15H,1,6-9H2,(H,14,16)
InChIKeyVFOUVTGJWOTCIC-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.84
Rot. Bonds7

About 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide

2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide (PubChem CID 58756727) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
PubChem CID58756727
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCO
InChIInChI=1S/C12H16FNO3/c13-11-4-2-10(3-5-11)8-17-9-12(16)14-6-1-7-15/h2-5,15H,1,6-9H2,(H,14,16)
InChIKeyVFOUVTGJWOTCIC-UHFFFAOYSA-N
XLogP0.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.84
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

2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 143299330
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
CID 143299317
N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine
CID 70323281
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 87804784

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide (CID 58756727) is 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide is O=C(COCc1ccc(F)cc1)NCCCO.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide?
The InChIKey is VFOUVTGJWOTCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c13-11-4-2-10(3-5-11)8-17-9-12(16)14-6-1-7-15/h2-5,15H,1,6-9H2,(H,14,16).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide?
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide has a molecular weight of 241.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 58756727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).