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

C10H11Cl2NO2 — CID 139666519

IUPACN-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C10H11Cl2NO2/c1-6(15)13(2)9-4-3-8(11)7(5-14)10(9)12/h3-4,14H,5H2,1-2H3
InChIKeyBQDVTPYUWHPTEG-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.47
Rot. Bonds2

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

N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide (PubChem CID 139666519) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
PubChem CID139666519
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC NameN-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C10H11Cl2NO2/c1-6(15)13(2)9-4-3-8(11)7(5-14)10(9)12/h3-4,14H,5H2,1-2H3
InChIKeyBQDVTPYUWHPTEG-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide (CID 139666519) is N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)c(CO)c1Cl.
What is the InChIKey of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The InChIKey is BQDVTPYUWHPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-6(15)13(2)9-4-3-8(11)7(5-14)10(9)12/h3-4,14H,5H2,1-2H3.
What are the key properties of N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide has a molecular weight of 248.11 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 139666519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).