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

C10H12ClNO2 — CID 131845832

IUPACN-chloro-N-methoxy-2-(4-methylphenyl)acetamide
SMILESCON(Cl)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C10H12ClNO2/c1-8-3-5-9(6-4-8)7-10(13)12(11)14-2/h3-6H,7H2,1-2H3
InChIKeyAUWTVCJZKZUPBZ-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.08
Rot. Bonds3

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

N-chloro-N-methoxy-2-(4-methylphenyl)acetamide (PubChem CID 131845832) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-chloro-N-methoxy-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-chloro-N-methoxy-2-(4-methylphenyl)acetamide
PubChem CID131845832
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-chloro-N-methoxy-2-(4-methylphenyl)acetamide
SMILESCON(Cl)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C10H12ClNO2/c1-8-3-5-9(6-4-8)7-10(13)12(11)14-2/h3-6H,7H2,1-2H3
InChIKeyAUWTVCJZKZUPBZ-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-chloro-N-methoxy-2-(4-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methoxy-2-(4-methylphenyl)acetamide?
The IUPAC name of N-chloro-N-methoxy-2-(4-methylphenyl)acetamide (CID 131845832) is N-chloro-N-methoxy-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-chloro-N-methoxy-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-chloro-N-methoxy-2-(4-methylphenyl)acetamide is CON(Cl)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-chloro-N-methoxy-2-(4-methylphenyl)acetamide?
The InChIKey is AUWTVCJZKZUPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-8-3-5-9(6-4-8)7-10(13)12(11)14-2/h3-6H,7H2,1-2H3.
What are the key properties of N-chloro-N-methoxy-2-(4-methylphenyl)acetamide?
N-chloro-N-methoxy-2-(4-methylphenyl)acetamide has a molecular weight of 213.66 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methoxy-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 131845832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).