2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide

C9H10ClNO2 — CID 23513422

IUPAC2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CCl)c(O)c1
InChIInChI=1S/C9H10ClNO2/c1-6-2-3-7(8(12)4-6)11-9(13)5-10/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyAPVITMJEFJQXEW-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.88
Rot. Bonds2

About 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide

2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 23513422) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID23513422
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CCl)c(O)c1
InChIInChI=1S/C9H10ClNO2/c1-6-2-3-7(8(12)4-6)11-9(13)5-10/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyAPVITMJEFJQXEW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113340015
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
2-(1-hydroxycyclopentyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 111430326
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
N-(2-hydroxy-4-methylphenyl)hept-6-ynamide
CID 103907404
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide (CID 23513422) is 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CCl)c(O)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is APVITMJEFJQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-2-3-7(8(12)4-6)11-9(13)5-10/h2-4,12H,5H2,1H3,(H,11,13).
What are the key properties of 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide?
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 199.64 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 23513422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).