N-(3-acetylphenyl)-2-chloroacetamide

C10H10ClNO2 — CID 607174

IUPACN-(3-acetylphenyl)-2-chloroacetamide
SMILESCC(=O)c1cccc(NC(=O)CCl)c1
InChIInChI=1S/C10H10ClNO2/c1-7(13)8-3-2-4-9(5-8)12-10(14)6-11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyHLFQTKCUEGIERF-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.07
Rot. Bonds3

About N-(3-acetylphenyl)-2-chloroacetamide

N-(3-acetylphenyl)-2-chloroacetamide (PubChem CID 607174) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloroacetamide
PubChem CID607174
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-(3-acetylphenyl)-2-chloroacetamide
SMILESCC(=O)c1cccc(NC(=O)CCl)c1
InChIInChI=1S/C10H10ClNO2/c1-7(13)8-3-2-4-9(5-8)12-10(14)6-11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyHLFQTKCUEGIERF-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-chloroacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloroacetamide (CID 607174) is N-(3-acetylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloroacetamide is CC(=O)c1cccc(NC(=O)CCl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloroacetamide?
The InChIKey is HLFQTKCUEGIERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(13)8-3-2-4-9(5-8)12-10(14)6-11/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-(3-acetylphenyl)-2-chloroacetamide?
N-(3-acetylphenyl)-2-chloroacetamide has a molecular weight of 211.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-chloroacetamide is sourced from PubChem (CID 607174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).