3,4-dichloro-N-methoxybenzamide

C8H7Cl2NO2 — CID 33099855

IUPAC3,4-dichloro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO2/c1-13-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKeyHIVVCEFDOVVYEV-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.28
Rot. Bonds2

About 3,4-dichloro-N-methoxybenzamide

3,4-dichloro-N-methoxybenzamide (PubChem CID 33099855) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is 3,4-dichloro-N-methoxybenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-methoxybenzamide
PubChem CID33099855
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name3,4-dichloro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO2/c1-13-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKeyHIVVCEFDOVVYEV-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methoxybenzamide?
The IUPAC name of 3,4-dichloro-N-methoxybenzamide (CID 33099855) is 3,4-dichloro-N-methoxybenzamide.
What is the SMILES notation for 3,4-dichloro-N-methoxybenzamide?
The canonical SMILES for 3,4-dichloro-N-methoxybenzamide is CONC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-methoxybenzamide?
The InChIKey is HIVVCEFDOVVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-13-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12).
What are the key properties of 3,4-dichloro-N-methoxybenzamide?
3,4-dichloro-N-methoxybenzamide has a molecular weight of 220.06 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methoxybenzamide is sourced from PubChem (CID 33099855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).