3,5-dichloro-2-(2-chloroethyl)benzamide

C9H8Cl3NO — CID 151852150

IUPAC3,5-dichloro-2-(2-chloroethyl)benzamide
SMILESNC(=O)c1cc(Cl)cc(Cl)c1CCCl
InChIInChI=1S/C9H8Cl3NO/c10-2-1-6-7(9(13)14)3-5(11)4-8(6)12/h3-4H,1-2H2,(H2,13,14)
InChIKeySIXWJSBRTHHAQI-UHFFFAOYSA-N
MW252.53 g/mol
LogP2.87
Rot. Bonds3

About 3,5-dichloro-2-(2-chloroethyl)benzamide

3,5-dichloro-2-(2-chloroethyl)benzamide (PubChem CID 151852150) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-chloroethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-(2-chloroethyl)benzamide
PubChem CID151852150
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name3,5-dichloro-2-(2-chloroethyl)benzamide
SMILESNC(=O)c1cc(Cl)cc(Cl)c1CCCl
InChIInChI=1S/C9H8Cl3NO/c10-2-1-6-7(9(13)14)3-5(11)4-8(6)12/h3-4H,1-2H2,(H2,13,14)
InChIKeySIXWJSBRTHHAQI-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,5-dichloro-2-(2-chloroethyl)benzamide?
The IUPAC name of 3,5-dichloro-2-(2-chloroethyl)benzamide (CID 151852150) is 3,5-dichloro-2-(2-chloroethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-(2-chloroethyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-(2-chloroethyl)benzamide is NC(=O)c1cc(Cl)cc(Cl)c1CCCl.
What is the InChIKey of 3,5-dichloro-2-(2-chloroethyl)benzamide?
The InChIKey is SIXWJSBRTHHAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c10-2-1-6-7(9(13)14)3-5(11)4-8(6)12/h3-4H,1-2H2,(H2,13,14).
What are the key properties of 3,5-dichloro-2-(2-chloroethyl)benzamide?
3,5-dichloro-2-(2-chloroethyl)benzamide has a molecular weight of 252.53 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-chloroethyl)benzamide is sourced from PubChem (CID 151852150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).