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

C14H18ClNO4 — CID 97039863

IUPAC2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@H]1C[C@H](CO)[C@H](O)C1
InChIInChI=1S/C14H18ClNO4/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-/m1/s1
InChIKeyRJRQGUGPYMOEMO-SUZMYJTESA-N
MW299.75 g/mol
LogP0.97
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 97039863) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID97039863
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@H]1C[C@H](CO)[C@H](O)C1
InChIInChI=1S/C14H18ClNO4/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-/m1/s1
InChIKeyRJRQGUGPYMOEMO-SUZMYJTESA-N
XLogP0.97
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 50.97
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-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide
CID 71785730
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 71785720

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide (CID 97039863) is 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide is O=C(COc1ccc(Cl)cc1)N[C@H]1C[C@H](CO)[C@H](O)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is RJRQGUGPYMOEMO-SUZMYJTESA-N. The full InChI is InChI=1S/C14H18ClNO4/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-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide?
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 299.75 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 97039863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).