3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide

C14H16Cl3NO — CID 63391832

IUPAC3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCC1
InChIInChI=1S/C14H16Cl3NO/c15-5-6-18(13-3-1-2-4-13)14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,1-6H2
InChIKeyPBBCREBDPJQONM-UHFFFAOYSA-N
MW320.65 g/mol
LogP4.62
Rot. Bonds4

About 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide

3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide (PubChem CID 63391832) has the molecular formula C14H16Cl3NO and a molecular weight of 320.65 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
PubChem CID63391832
Molecular FormulaC14H16Cl3NO
Molecular Weight320.65 g/mol
Exact Mass319.03
IUPAC Name3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCC1
InChIInChI=1S/C14H16Cl3NO/c15-5-6-18(13-3-1-2-4-13)14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,1-6H2
InChIKeyPBBCREBDPJQONM-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide 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 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide (CID 63391832) is 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide is O=C(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCC1.
What is the InChIKey of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The InChIKey is PBBCREBDPJQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO/c15-5-6-18(13-3-1-2-4-13)14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,1-6H2.
What are the key properties of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide?
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide has a molecular weight of 320.65 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide is sourced from PubChem (CID 63391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).