3,5-dichloro-N-methylbenzamide

C8H7Cl2NO — CID 1490164

IUPAC3,5-dichloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12)
InChIKeyBICUCGPTPDFRIK-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.35
Rot. Bonds1

About 3,5-dichloro-N-methylbenzamide

3,5-dichloro-N-methylbenzamide (PubChem CID 1490164) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 3,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-methylbenzamide
PubChem CID1490164
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name3,5-dichloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12)
InChIKeyBICUCGPTPDFRIK-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-N-methylbenzamide (CID 1490164) is 3,5-dichloro-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-N-methylbenzamide is CNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-methylbenzamide?
The InChIKey is BICUCGPTPDFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12).
What are the key properties of 3,5-dichloro-N-methylbenzamide?
3,5-dichloro-N-methylbenzamide has a molecular weight of 204.06 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 1490164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).