2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide

C10H10Cl3NO — CID 63391248

IUPAC2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO/c1-14(5-4-11)10(15)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyAQLOLASBCGAORD-UHFFFAOYSA-N
MW266.56 g/mol
LogP3.30
Rot. Bonds3

About 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide

2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide (PubChem CID 63391248) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
PubChem CID63391248
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO/c1-14(5-4-11)10(15)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3
InChIKeyAQLOLASBCGAORD-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452287

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide (CID 63391248) is 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide is CN(CCCl)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide?
The InChIKey is AQLOLASBCGAORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-14(5-4-11)10(15)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide?
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide has a molecular weight of 266.56 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide is sourced from PubChem (CID 63391248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).