2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide

C13H18ClNO4 — CID 104666110

IUPAC2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(Cl)cc(CO)c1OCC(=O)NC(C)C
InChIInChI=1S/C13H18ClNO4/c1-8(2)15-12(17)7-19-13-9(6-16)4-10(14)5-11(13)18-3/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
InChIKeySTAPVTZNTUNKEH-UHFFFAOYSA-N
MW287.74 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide

2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 104666110) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID104666110
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(Cl)cc(CO)c1OCC(=O)NC(C)C
InChIInChI=1S/C13H18ClNO4/c1-8(2)15-12(17)7-19-13-9(6-16)4-10(14)5-11(13)18-3/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
InChIKeySTAPVTZNTUNKEH-UHFFFAOYSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104664187
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 104664877
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
CID 104664912
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
N-[[5-chloro-3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 104664908
3-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 104665899

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide (CID 104666110) is 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide is COc1cc(Cl)cc(CO)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is STAPVTZNTUNKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-8(2)15-12(17)7-19-13-9(6-16)4-10(14)5-11(13)18-3/h4-5,8,16H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 287.74 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 104666110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).