2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide

C14H18FNO4 — CID 97039908

IUPAC2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C14H18FNO4/c15-10-1-3-12(4-2-10)20-8-14(19)16-11-5-9(7-17)13(18)6-11/h1-4,9,11,13,17-18H,5-8H2,(H,16,19)/t9-,11+,13+/m0/s1
InChIKeySPVRCZURTFKUCT-UFGOTCBOSA-N
MW283.30 g/mol
LogP0.45
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide

2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 97039908) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID97039908
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C14H18FNO4/c15-10-1-3-12(4-2-10)20-8-14(19)16-11-5-9(7-17)13(18)6-11/h1-4,9,11,13,17-18H,5-8H2,(H,16,19)/t9-,11+,13+/m0/s1
InChIKeySPVRCZURTFKUCT-UFGOTCBOSA-N
XLogP0.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide
CID 98783562
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide
CID 71785730
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 73371195
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209208
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
CID 159106921

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide (CID 97039908) is 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide is O=C(COc1ccc(F)cc1)N[C@@H]1C[C@@H](CO)[C@H](O)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is SPVRCZURTFKUCT-UFGOTCBOSA-N. The full InChI is InChI=1S/C14H18FNO4/c15-10-1-3-12(4-2-10)20-8-14(19)16-11-5-9(7-17)13(18)6-11/h1-4,9,11,13,17-18H,5-8H2,(H,16,19)/t9-,11+,13+/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 283.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 97039908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).