N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide

C13H16Cl2F2N2O2 — CID 107484961

IUPACN-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
SMILESO=C(CCN(CCO)CC(F)F)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2F2N2O2/c14-9-2-1-3-10(15)13(9)18-12(21)4-5-19(6-7-20)8-11(16)17/h1-3,11,20H,4-8H2,(H,18,21)
InChIKeyLPLRCCJDEWIKNC-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.88
Rot. Bonds8

About N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide

N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide (PubChem CID 107484961) has the molecular formula C13H16Cl2F2N2O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
PubChem CID107484961
Molecular FormulaC13H16Cl2F2N2O2
Molecular Weight341.19 g/mol
Exact Mass340.06
IUPAC NameN-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
SMILESO=C(CCN(CCO)CC(F)F)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2F2N2O2/c14-9-2-1-3-10(15)13(9)18-12(21)4-5-19(6-7-20)8-11(16)17/h1-3,11,20H,4-8H2,(H,18,21)
InChIKeyLPLRCCJDEWIKNC-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide (CID 107484961) is N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide is O=C(CCN(CCO)CC(F)F)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is LPLRCCJDEWIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2F2N2O2/c14-9-2-1-3-10(15)13(9)18-12(21)4-5-19(6-7-20)8-11(16)17/h1-3,11,20H,4-8H2,(H,18,21).
What are the key properties of N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 341.19 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 107484961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).