2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide

C10H12ClNO3 — CID 43141884

IUPAC2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1ccc(Cl)cc1CO)C(N)=O
InChIInChI=1S/C10H12ClNO3/c1-6(10(12)14)15-9-3-2-8(11)4-7(9)5-13/h2-4,6,13H,5H2,1H3,(H2,12,14)
InChIKeyHEYHCDXVEZWHJH-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.08
Rot. Bonds4

About 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide

2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide (PubChem CID 43141884) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
PubChem CID43141884
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1ccc(Cl)cc1CO)C(N)=O
InChIInChI=1S/C10H12ClNO3/c1-6(10(12)14)15-9-3-2-8(11)4-7(9)5-13/h2-4,6,13H,5H2,1H3,(H2,12,14)
InChIKeyHEYHCDXVEZWHJH-UHFFFAOYSA-N
XLogP1.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038
2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
CID 43324773
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide (CID 43141884) is 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide is CC(Oc1ccc(Cl)cc1CO)C(N)=O.
What is the InChIKey of 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is HEYHCDXVEZWHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(10(12)14)15-9-3-2-8(11)4-7(9)5-13/h2-4,6,13H,5H2,1H3,(H2,12,14).
What are the key properties of 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 229.66 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 43141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).