2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide

C17H17ClFNO3 — CID 126676555

IUPAC2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide
SMILESCc1cc(O)c(-c2cc(OCC(=O)N(C)C)ccc2F)cc1Cl
InChIInChI=1S/C17H17ClFNO3/c1-10-6-16(21)13(8-14(10)18)12-7-11(4-5-15(12)19)23-9-17(22)20(2)3/h4-8,21H,9H2,1-3H3
InChIKeyOAPAWWZXJKYNCK-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.63
Rot. Bonds4

About 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide

2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide (PubChem CID 126676555) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide
PubChem CID126676555
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide
SMILESCc1cc(O)c(-c2cc(OCC(=O)N(C)C)ccc2F)cc1Cl
InChIInChI=1S/C17H17ClFNO3/c1-10-6-16(21)13(8-14(10)18)12-7-11(4-5-15(12)19)23-9-17(22)20(2)3/h4-8,21H,9H2,1-3H3
InChIKeyOAPAWWZXJKYNCK-UHFFFAOYSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Chloro-2-isopropyl-5-methylphenoxy)acetyl]morpholine
CID 895162
4-Chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol
CID 126651136
4-Chloro-2-(2-fluoro-5-propan-2-yloxyphenyl)-5-methylphenol
CID 126676547
4-Chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol
CID 126676548
4-Chloro-2-(5-cyclopropyloxy-2-fluorophenyl)-5-methylphenol
CID 126677155
4-Chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol
CID 126677498
1-(Aziridin-1-yl)-2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]ethanone
CID 155686197
2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N,N-dimethylacetamide
CID 155686242
2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
CID 155686275
2-[3-chloro-5-ethyl-2-fluoro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-methylacetamide
CID 156405156
2-[3-chloro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-5-prop-1-en-2-ylphenoxy]-N,N-dimethylacetamide
CID 156405159
2-[5-chloro-2-fluoro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylphenoxy]-N-methylacetamide
CID 156405166

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide (CID 126676555) is 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide is Cc1cc(O)c(-c2cc(OCC(=O)N(C)C)ccc2F)cc1Cl.
What is the InChIKey of 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide?
The InChIKey is OAPAWWZXJKYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-10-6-16(21)13(8-14(10)18)12-7-11(4-5-15(12)19)23-9-17(22)20(2)3/h4-8,21H,9H2,1-3H3.
What are the key properties of 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide?
2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide has a molecular weight of 337.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 126676555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).