2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide

C13H16ClNO4 — CID 110125138

IUPAC2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H16ClNO4/c14-8-3-1-2-4-11(8)19-7-12(17)15-9-5-6-10(16)13(9)18/h1-4,9-10,13,16,18H,5-7H2,(H,15,17)/t9-,10-,13-/m1/s1
InChIKeyIRKWDZCHTZVGEZ-GIPNMCIBSA-N
MW285.73 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide

2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide (PubChem CID 110125138) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
PubChem CID110125138
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H16ClNO4/c14-8-3-1-2-4-11(8)19-7-12(17)15-9-5-6-10(16)13(9)18/h1-4,9-10,13,16,18H,5-7H2,(H,15,17)/t9-,10-,13-/m1/s1
InChIKeyIRKWDZCHTZVGEZ-GIPNMCIBSA-N
XLogP0.72
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110125549
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
2-(2-chlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575020
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435738
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435735
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide (CID 110125138) is 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide is O=C(COc1ccccc1Cl)N[C@@H]1CC[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide?
The InChIKey is IRKWDZCHTZVGEZ-GIPNMCIBSA-N. The full InChI is InChI=1S/C13H16ClNO4/c14-8-3-1-2-4-11(8)19-7-12(17)15-9-5-6-10(16)13(9)18/h1-4,9-10,13,16,18H,5-7H2,(H,15,17)/t9-,10-,13-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide?
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide has a molecular weight of 285.73 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide is sourced from PubChem (CID 110125138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).