2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide

C20H17ClN2O2 — CID 130234366

IUPAC2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1c(Cl)cccc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H17ClN2O2/c1-14-15(6-4-9-18(14)21)13-25-19-10-3-2-8-17(19)20(24)23-16-7-5-11-22-12-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyNUAYNZIKDGIMKW-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.87
Rot. Bonds5

About 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 130234366) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID130234366
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1c(Cl)cccc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H17ClN2O2/c1-14-15(6-4-9-18(14)21)13-25-19-10-3-2-8-17(19)20(24)23-16-7-5-11-22-12-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyNUAYNZIKDGIMKW-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 130234366) is 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide is Cc1c(Cl)cccc1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is NUAYNZIKDGIMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14-15(6-4-9-18(14)21)13-25-19-10-3-2-8-17(19)20(24)23-16-7-5-11-22-12-16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 352.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 130234366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).