3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide

C14H13ClN2O2 — CID 774897

IUPAC3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cccnc2)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-2-19-13-6-5-10(8-12(13)15)14(18)17-11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeyWXOHUGVCQWHSES-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.39
Rot. Bonds4

About 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide

3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide (PubChem CID 774897) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide
PubChem CID774897
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cccnc2)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-2-19-13-6-5-10(8-12(13)15)14(18)17-11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeyWXOHUGVCQWHSES-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-ethoxy-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 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide (CID 774897) is 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide is CCOc1ccc(C(=O)Nc2cccnc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is WXOHUGVCQWHSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-19-13-6-5-10(8-12(13)15)14(18)17-11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide?
3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 276.72 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 774897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).