2-chloro-N-[(3-chlorophenyl)methyl]acetamide

C9H9Cl2NO — CID 602747

IUPAC2-chloro-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(CCl)NCc1cccc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2,(H,12,13)
InChIKeyFWJMEAXKWGEGLQ-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.19
Rot. Bonds3

About 2-chloro-N-[(3-chlorophenyl)methyl]acetamide

2-chloro-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 602747) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID602747
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2-chloro-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(CCl)NCc1cccc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2,(H,12,13)
InChIKeyFWJMEAXKWGEGLQ-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3-chlorophenyl)methyl]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 2-chloro-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-chlorophenyl)methyl]acetamide (CID 602747) is 2-chloro-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-chlorophenyl)methyl]acetamide is O=C(CCl)NCc1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is FWJMEAXKWGEGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-chloro-N-[(3-chlorophenyl)methyl]acetamide?
2-chloro-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 218.08 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 602747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).