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

C9H9Cl2NO2 — CID 86198848

IUPACN-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-3,13H,4H2,1H3,(H,12,14)
InChIKeyFWZBJHBHLDQMRQ-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.44
Rot. Bonds2

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

N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide (PubChem CID 86198848) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide
PubChem CID86198848
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC NameN-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-3,13H,4H2,1H3,(H,12,14)
InChIKeyFWZBJHBHLDQMRQ-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide (CID 86198848) is N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(CO)c1Cl.
What is the InChIKey of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is FWZBJHBHLDQMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-3,13H,4H2,1H3,(H,12,14).
What are the key properties of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide?
N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 234.08 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 86198848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).