N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide

C10H12ClNO3 — CID 162343437

IUPACN-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1CO
InChIInChI=1S/C10H12ClNO3/c1-6(14)12-9-4-10(15-2)7(5-13)3-8(9)11/h3-4,13H,5H2,1-2H3,(H,12,14)
InChIKeyCYKHGRWUIHTPNY-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.80
Rot. Bonds3

About N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide

N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide (PubChem CID 162343437) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
PubChem CID162343437
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC NameN-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1CO
InChIInChI=1S/C10H12ClNO3/c1-6(14)12-9-4-10(15-2)7(5-13)3-8(9)11/h3-4,13H,5H2,1-2H3,(H,12,14)
InChIKeyCYKHGRWUIHTPNY-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212
N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
CID 156782356
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol
CID 83962472
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
CID 17257104
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide (CID 162343437) is N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide is COc1cc(NC(C)=O)c(Cl)cc1CO.
What is the InChIKey of N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide?
The InChIKey is CYKHGRWUIHTPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(14)12-9-4-10(15-2)7(5-13)3-8(9)11/h3-4,13H,5H2,1-2H3,(H,12,14).
What are the key properties of N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide?
N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide has a molecular weight of 229.66 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide is sourced from PubChem (CID 162343437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).