2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C14H17ClFNO3 — CID 114631346

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO3/c1-14(2)11(6-12(14)18)17-13(19)7-20-10-4-3-8(16)5-9(10)15/h3-5,11-12,18H,6-7H2,1-2H3,(H,17,19)
InChIKeyKDBLHQDHQCKRAK-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 114631346) has the molecular formula C14H17ClFNO3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID114631346
Molecular FormulaC14H17ClFNO3
Molecular Weight301.75 g/mol
Exact Mass301.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO3/c1-14(2)11(6-12(14)18)17-13(19)7-20-10-4-3-8(16)5-9(10)15/h3-5,11-12,18H,6-7H2,1-2H3,(H,17,19)
InChIKeyKDBLHQDHQCKRAK-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630844
2-(2-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119455158
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120602502
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114631252
3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114630658
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
2-(2-chloro-4-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103774298
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 114631346) is 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is CC1(C)C(O)CC1NC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is KDBLHQDHQCKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3/c1-14(2)11(6-12(14)18)17-13(19)7-20-10-4-3-8(16)5-9(10)15/h3-5,11-12,18H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 301.75 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 114631346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).