2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide

C14H18ClNO4 — CID 166269611

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H18ClNO4/c1-8-4-9(15)2-3-13(8)20-7-14(19)16-10-5-11(17)12(18)6-10/h2-4,10-12,17-18H,5-7H2,1H3,(H,16,19)/t10?,11-,12+
InChIKeyTWPFLKUPARFFCD-YOGCLGLASA-N
MW299.75 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide (PubChem CID 166269611) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
PubChem CID166269611
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H18ClNO4/c1-8-4-9(15)2-3-13(8)20-7-14(19)16-10-5-11(17)12(18)6-10/h2-4,10-12,17-18H,5-7H2,1H3,(H,16,19)/t10?,11-,12+
InChIKeyTWPFLKUPARFFCD-YOGCLGLASA-N
XLogP1.03
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 870399
2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630844
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
2-(4-chloro-2-methylphenoxy)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91764048
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133265530
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide (CID 166269611) is 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide?
The InChIKey is TWPFLKUPARFFCD-YOGCLGLASA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-8-4-9(15)2-3-13(8)20-7-14(19)16-10-5-11(17)12(18)6-10/h2-4,10-12,17-18H,5-7H2,1H3,(H,16,19)/t10?,11-,12+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide has a molecular weight of 299.75 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide is sourced from PubChem (CID 166269611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).