2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C19H17Cl3N2O3 — CID 2941419

IUPAC2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCC1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl3N2O3/c20-11-4-6-17(24-19(26)14-5-3-12(21)9-16(14)22)15(8-11)18(25)23-10-13-2-1-7-27-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,24,26)
InChIKeyMAATZQMBXJYFQN-UHFFFAOYSA-N
MW427.72 g/mol
LogP4.81
Rot. Bonds5

About 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 2941419) has the molecular formula C19H17Cl3N2O3 and a molecular weight of 427.72 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID2941419
Molecular FormulaC19H17Cl3N2O3
Molecular Weight427.72 g/mol
Exact Mass426.03
IUPAC Name2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCC1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl3N2O3/c20-11-4-6-17(24-19(26)14-5-3-12(21)9-16(14)22)15(8-11)18(25)23-10-13-2-1-7-27-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,24,26)
InChIKeyMAATZQMBXJYFQN-UHFFFAOYSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.72
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide 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 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 2941419) is 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)NCC1CCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is MAATZQMBXJYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O3/c20-11-4-6-17(24-19(26)14-5-3-12(21)9-16(14)22)15(8-11)18(25)23-10-13-2-1-7-27-13/h3-6,8-9,13H,1-2,7,10H2,(H,23,25)(H,24,26).
What are the key properties of 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 427.72 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-chloro-2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2941419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).