2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide

C11H14ClNO3 — CID 112612856

IUPAC2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
SMILESCCC(Oc1c(Cl)cccc1CO)C(N)=O
InChIInChI=1S/C11H14ClNO3/c1-2-9(11(13)15)16-10-7(6-14)4-3-5-8(10)12/h3-5,9,14H,2,6H2,1H3,(H2,13,15)
InChIKeyUZWVIPNNSKOYPU-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide

2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide (PubChem CID 112612856) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
PubChem CID112612856
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
SMILESCCC(Oc1c(Cl)cccc1CO)C(N)=O
InChIInChI=1S/C11H14ClNO3/c1-2-9(11(13)15)16-10-7(6-14)4-3-5-8(10)12/h3-5,9,14H,2,6H2,1H3,(H2,13,15)
InChIKeyUZWVIPNNSKOYPU-UHFFFAOYSA-N
XLogP1.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
CID 112613193
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62900773
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
CID 115955247

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide?
The IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide (CID 112612856) is 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide?
The canonical SMILES for 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide is CCC(Oc1c(Cl)cccc1CO)C(N)=O.
What is the InChIKey of 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide?
The InChIKey is UZWVIPNNSKOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-2-9(11(13)15)16-10-7(6-14)4-3-5-8(10)12/h3-5,9,14H,2,6H2,1H3,(H2,13,15).
What are the key properties of 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide?
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide has a molecular weight of 243.69 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide is sourced from PubChem (CID 112612856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).