MDSIORNLJCVXLC-UHFFFAOYSA-N

C₉H₉Cl₂NO — CID 602663

About MDSIORNLJCVXLC-UHFFFAOYSA-N

MDSIORNLJCVXLC-UHFFFAOYSA-N (PubChem CID 602663) has the molecular formula C₉H₉Cl₂NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: MDSIORNLJCVXLC-UHFFFAOYSA-N
• PubChem CID: 602663
• Molecular Formula: C₉H₉Cl₂NO
• Molecular Weight: 218.08 g/mol
• Exact Mass: 217.01
• IUPAC Name: N-[(2,6-dichlorophenyl)methyl]acetamide
• SMILES: CC(=O)NCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
• InChIKey: MDSIORNLJCVXLC-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.08
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of MDSIORNLJCVXLC-UHFFFAOYSA-N?

The IUPAC name of MDSIORNLJCVXLC-UHFFFAOYSA-N (CID 602663) is N-[(2,6-dichlorophenyl)methyl]acetamide.

What is the SMILES notation for MDSIORNLJCVXLC-UHFFFAOYSA-N?

The canonical SMILES for MDSIORNLJCVXLC-UHFFFAOYSA-N is CC(=O)NCc1c(Cl)cccc1Cl.

What is the InChIKey of MDSIORNLJCVXLC-UHFFFAOYSA-N?

The InChIKey is MDSIORNLJCVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13).

What are the key properties of MDSIORNLJCVXLC-UHFFFAOYSA-N?

MDSIORNLJCVXLC-UHFFFAOYSA-N has a molecular weight of 218.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for MDSIORNLJCVXLC-UHFFFAOYSA-N is sourced from PubChem (CID 602663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 602663 — identifiers, structure, computed properties (public domain)

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