3-chloro-4,5-dimethoxybenzamide

C9H10ClNO3 — CID 900807

IUPAC3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)cc(Cl)c1OC
InChIInChI=1S/C9H10ClNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12)
InChIKeyGUIKIHAKNSUDTK-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.46
Rot. Bonds3

About 3-chloro-4,5-dimethoxybenzamide

3-chloro-4,5-dimethoxybenzamide (PubChem CID 900807) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxybenzamide
PubChem CID900807
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)cc(Cl)c1OC
InChIInChI=1S/C9H10ClNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12)
InChIKeyGUIKIHAKNSUDTK-UHFFFAOYSA-N
XLogP1.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4,5-dimethoxybenzamide 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-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-4,5-dimethoxybenzamide (CID 900807) is 3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxybenzamide is COc1cc(C(N)=O)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxybenzamide?
The InChIKey is GUIKIHAKNSUDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 3-chloro-4,5-dimethoxybenzamide?
3-chloro-4,5-dimethoxybenzamide has a molecular weight of 215.64 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).