2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide

C12H14Cl2N2O3 — CID 18704970

IUPAC2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCC(=O)NCC(=O)N(C)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-7(18)15-5-11(19)16(2)10-4-3-9(13)8(6-17)12(10)14/h3-4,17H,5-6H2,1-2H3,(H,15,18)
InChIKeyXQIVHBKHLKBXML-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.58
Rot. Bonds4

About 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide

2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide (PubChem CID 18704970) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
PubChem CID18704970
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCC(=O)NCC(=O)N(C)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-7(18)15-5-11(19)16(2)10-4-3-9(13)8(6-17)12(10)14/h3-4,17H,5-6H2,1-2H3,(H,15,18)
InChIKeyXQIVHBKHLKBXML-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide (CID 18704970) is 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide is CC(=O)NCC(=O)N(C)c1ccc(Cl)c(CO)c1Cl.
What is the InChIKey of 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The InChIKey is XQIVHBKHLKBXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-7(18)15-5-11(19)16(2)10-4-3-9(13)8(6-17)12(10)14/h3-4,17H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide has a molecular weight of 305.16 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 18704970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).