N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide

C21H22F4N2O4 — CID 166196892

IUPACN,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
SMILESO=C(CCCC(=O)NCC(O)c1ccc(F)cc1F)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C21H22F4N2O4/c22-12-4-6-14(16(24)8-12)18(28)10-26-20(30)2-1-3-21(31)27-11-19(29)15-7-5-13(23)9-17(15)25/h4-9,18-19,28-29H,1-3,10-11H2,(H,26,30)(H,27,31)
InChIKeyGMYWIKZFHZZSHJ-UHFFFAOYSA-N
MW442.41 g/mol
LogP2.41
Rot. Bonds10

About N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide

N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide (PubChem CID 166196892) has the molecular formula C21H22F4N2O4 and a molecular weight of 442.41 g/mol. Its IUPAC name is N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
PubChem CID166196892
Molecular FormulaC21H22F4N2O4
Molecular Weight442.41 g/mol
Exact Mass442.15
IUPAC NameN,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
SMILESO=C(CCCC(=O)NCC(O)c1ccc(F)cc1F)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C21H22F4N2O4/c22-12-4-6-14(16(24)8-12)18(28)10-26-20(30)2-1-3-21(31)27-11-19(29)15-7-5-13(23)9-17(15)25/h4-9,18-19,28-29H,1-3,10-11H2,(H,26,30)(H,27,31)
InChIKeyGMYWIKZFHZZSHJ-UHFFFAOYSA-N
XLogP2.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide?
The IUPAC name of N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide (CID 166196892) is N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide.
What is the SMILES notation for N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide?
The canonical SMILES for N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide is O=C(CCCC(=O)NCC(O)c1ccc(F)cc1F)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide?
The InChIKey is GMYWIKZFHZZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O4/c22-12-4-6-14(16(24)8-12)18(28)10-26-20(30)2-1-3-21(31)27-11-19(29)15-7-5-13(23)9-17(15)25/h4-9,18-19,28-29H,1-3,10-11H2,(H,26,30)(H,27,31).
What are the key properties of N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide?
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide has a molecular weight of 442.41 g/mol, XLogP of 2.41, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide is sourced from PubChem (CID 166196892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).