2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C10H10Cl3NO — CID 25323216

IUPAC2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCl
InChIInChI=1S/C10H10Cl3NO/c1-14(10(15)5-11)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3
InChIKeyJTEJWTRZRUWVFT-UHFFFAOYSA-N
MW266.56 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 25323216) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID25323216
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCl
InChIInChI=1S/C10H10Cl3NO/c1-14(10(15)5-11)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3
InChIKeyJTEJWTRZRUWVFT-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741
MED-COV-4280ac29-15
CID 16226890
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
2-Chloro-N-(3-chlorobenzyl)acetamide
CID 602747
PAU-UNI-8cdd41c7-1
CID 154856894
N-butyl-3,4-dichloro-N-ethylbenzamide
CID 2163962
2-(1-cyanopyrrolidin-3-ylidene)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 141757236
Randox-T
CID 3032542
N-benzyl-2-chloro-N-ethylacetamide
CID 2392406
N-benzyl-2-chloro-N-methylacetamide
CID 4639192

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 25323216) is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is JTEJWTRZRUWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-14(10(15)5-11)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 266.56 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 25323216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).