N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide

C14H20Cl2N2O2 — CID 163984215

IUPACN-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide
SMILESCCN(CC)CC(O)c1cc(Cl)c(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-4-18(5-2)8-13(20)10-6-11(15)14(12(16)7-10)17-9(3)19/h6-7,13,20H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyTUWMHXVILYIOII-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.33
Rot. Bonds6

About N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide

N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide (PubChem CID 163984215) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide
PubChem CID163984215
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide
SMILESCCN(CC)CC(O)c1cc(Cl)c(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-4-18(5-2)8-13(20)10-6-11(15)14(12(16)7-10)17-9(3)19/h6-7,13,20H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyTUWMHXVILYIOII-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide?
The IUPAC name of N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide (CID 163984215) is N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide is CCN(CC)CC(O)c1cc(Cl)c(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide?
The InChIKey is TUWMHXVILYIOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-4-18(5-2)8-13(20)10-6-11(15)14(12(16)7-10)17-9(3)19/h6-7,13,20H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide?
N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide has a molecular weight of 319.23 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 163984215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).