2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide

C23H23ClN2O4 — CID 118911698

IUPAC2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESCOCCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H23ClN2O4/c1-28-12-5-13-29-21-10-9-18(24)14-17(21)16-30-22-8-3-2-7-20(22)23(27)26-19-6-4-11-25-15-19/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,26,27)
InChIKeyYEHKDVSJVWSUON-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.98
Rot. Bonds10

About 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide

2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911698) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911698
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESCOCCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H23ClN2O4/c1-28-12-5-13-29-21-10-9-18(24)14-17(21)16-30-22-8-3-2-7-20(22)23(27)26-19-6-4-11-25-15-19/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,26,27)
InChIKeyYEHKDVSJVWSUON-UHFFFAOYSA-N
XLogP4.98
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide 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-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (CID 118911698) is 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is COCCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is YEHKDVSJVWSUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-28-12-5-13-29-21-10-9-18(24)14-17(21)16-30-22-8-3-2-7-20(22)23(27)26-19-6-4-11-25-15-19/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,26,27).
What are the key properties of 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 426.90 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(3-methoxypropoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).