N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride

C9H12ClNO2 — CID 142950008

IUPACN-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccccc1CO.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-7(12)10-9-5-3-2-4-8(9)6-11;/h2-5,11H,6H2,1H3,(H,10,12);1H
InChIKeyWFDJTZYZCYBODN-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.56
Rot. Bonds2

About N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride

N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride (PubChem CID 142950008) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
PubChem CID142950008
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC NameN-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccccc1CO.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-7(12)10-9-5-3-2-4-8(9)6-11;/h2-5,11H,6H2,1H3,(H,10,12);1H
InChIKeyWFDJTZYZCYBODN-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
ethane;N-(2-propylphenyl)acetamide
CID 142804217
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride (CID 142950008) is N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccccc1CO.Cl.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride?
The InChIKey is WFDJTZYZCYBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-7(12)10-9-5-3-2-4-8(9)6-11;/h2-5,11H,6H2,1H3,(H,10,12);1H.
What are the key properties of N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride?
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 142950008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).