2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide

C17H17ClFNO3 — CID 2539740

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)COc2ccc(F)cc2Cl)cc(C)c1O
InChIInChI=1S/C17H17ClFNO3/c1-10-5-12(6-11(2)17(10)22)8-20-16(21)9-23-15-4-3-13(19)7-14(15)18/h3-7,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyPVWBFHDONSWECA-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide (PubChem CID 2539740) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide
PubChem CID2539740
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)COc2ccc(F)cc2Cl)cc(C)c1O
InChIInChI=1S/C17H17ClFNO3/c1-10-5-12(6-11(2)17(10)22)8-20-16(21)9-23-15-4-3-13(19)7-14(15)18/h3-7,22H,8-9H2,1-2H3,(H,20,21)
InChIKeyPVWBFHDONSWECA-UHFFFAOYSA-N
XLogP3.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2,4-dichlorophenoxy)-N-(4-fluorobenzyl)propanamide
CID 2896062
2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 17068373
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 42989328
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)butyl]propanamide
CID 71229553
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)pentyl]propanamide
CID 71229554
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 71229566
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 71229648
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)propyl]propanamide
CID 71230075
2-(2,4-dichlorophenoxy)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 71230415
2-(2-chloro-4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 16290008

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide (CID 2539740) is 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide is Cc1cc(CNC(=O)COc2ccc(F)cc2Cl)cc(C)c1O.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide?
The InChIKey is PVWBFHDONSWECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-10-5-12(6-11(2)17(10)22)8-20-16(21)9-23-15-4-3-13(19)7-14(15)18/h3-7,22H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide has a molecular weight of 337.78 g/mol, XLogP of 3.50, 5 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-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 2539740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).