N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide

C17H17ClFNO3 — CID 126677292

IUPACN-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(F)c(-c2cc(Cl)c(C)cc2O)c1
InChIInChI=1S/C17H17ClFNO3/c1-10-5-16(21)13(7-14(10)18)12-6-11(3-4-15(12)19)8-20-17(22)9-23-2/h3-7,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyNWVFIDWTFXTCQU-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.42
Rot. Bonds5

About N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide

N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide (PubChem CID 126677292) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide
PubChem CID126677292
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(F)c(-c2cc(Cl)c(C)cc2O)c1
InChIInChI=1S/C17H17ClFNO3/c1-10-5-16(21)13(7-14(10)18)12-6-11(3-4-15(12)19)8-20-17(22)9-23-2/h3-7,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyNWVFIDWTFXTCQU-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
CID 126677135
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 46860564
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686762
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771690
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide (CID 126677292) is N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(F)c(-c2cc(Cl)c(C)cc2O)c1.
What is the InChIKey of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide?
The InChIKey is NWVFIDWTFXTCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-10-5-16(21)13(7-14(10)18)12-6-11(3-4-15(12)19)8-20-17(22)9-23-2/h3-7,21H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide?
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide has a molecular weight of 337.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 126677292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).