2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide

C10H12ClNO2 — CID 166415827

IUPAC2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CCl)cc1O
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(4-9(7)13)6-12-10(14)5-11/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeyZHSJVXWVVNQXLA-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.56
Rot. Bonds3

About 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide

2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide (PubChem CID 166415827) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
PubChem CID166415827
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CCl)cc1O
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(4-9(7)13)6-12-10(14)5-11/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeyZHSJVXWVVNQXLA-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
CID 166419507
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2-chloro-N-[(3,5-dimethylphenyl)methyl]acetamide
CID 12767964
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide (CID 166415827) is 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CCl)cc1O.
What is the InChIKey of 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide?
The InChIKey is ZHSJVXWVVNQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7-2-3-8(4-9(7)13)6-12-10(14)5-11/h2-4,13H,5-6H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide?
2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166415827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).