2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide

C15H19ClFNO4 — CID 110164950

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)COc2ccc(F)c(Cl)c2)[C@H]1O
InChIInChI=1S/C15H19ClFNO4/c1-21-13-4-2-3-12(15(13)20)18-14(19)8-22-9-5-6-11(17)10(16)7-9/h5-7,12-13,15,20H,2-4,8H2,1H3,(H,18,19)/t12-,13-,15-/m1/s1
InChIKeyRUYGNARWBXTAJN-UMVBOHGHSA-N
MW331.77 g/mol
LogP1.90
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide (PubChem CID 110164950) has the molecular formula C15H19ClFNO4 and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
PubChem CID110164950
Molecular FormulaC15H19ClFNO4
Molecular Weight331.77 g/mol
Exact Mass331.10
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)COc2ccc(F)c(Cl)c2)[C@H]1O
InChIInChI=1S/C15H19ClFNO4/c1-21-13-4-2-3-12(15(13)20)18-14(19)8-22-9-5-6-11(17)10(16)7-9/h5-7,12-13,15,20H,2-4,8H2,1H3,(H,18,19)/t12-,13-,15-/m1/s1
InChIKeyRUYGNARWBXTAJN-UMVBOHGHSA-N
XLogP1.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]acetamide
CID 122564214
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110125549
2-(4-aminophenoxy)-N-(2-methoxycyclopentyl)acetamide
CID 62087994
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-chloro-4-fluorophenoxy)-N-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 31873416
2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide
CID 142585588
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
(1S,3S,4S)-4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-hydroxy-N-[3-(trifluoromethoxy)cyclobutyl]cyclohexane-1-carboxamide
CID 176735373
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide (CID 110164950) is 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide is CO[C@@H]1CCC[C@@H](NC(=O)COc2ccc(F)c(Cl)c2)[C@H]1O.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
The InChIKey is RUYGNARWBXTAJN-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H19ClFNO4/c1-21-13-4-2-3-12(15(13)20)18-14(19)8-22-9-5-6-11(17)10(16)7-9/h5-7,12-13,15,20H,2-4,8H2,1H3,(H,18,19)/t12-,13-,15-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide has a molecular weight of 331.77 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide is sourced from PubChem (CID 110164950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).