N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide

C16H22F2N2O2 — CID 154596297

IUPACN'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide
SMILESCCC(CC(C)C(=O)Nc1ccccc1)C(=O)NCC(F)F
InChIInChI=1S/C16H22F2N2O2/c1-3-12(16(22)19-10-14(17)18)9-11(2)15(21)20-13-7-5-4-6-8-13/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyFXBIYJQMPWINSJ-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.06
Rot. Bonds8

About N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide

N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide (PubChem CID 154596297) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide
PubChem CID154596297
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide
SMILESCCC(CC(C)C(=O)Nc1ccccc1)C(=O)NCC(F)F
InChIInChI=1S/C16H22F2N2O2/c1-3-12(16(22)19-10-14(17)18)9-11(2)15(21)20-13-7-5-4-6-8-13/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyFXBIYJQMPWINSJ-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide?
The IUPAC name of N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide (CID 154596297) is N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide?
The canonical SMILES for N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide is CCC(CC(C)C(=O)Nc1ccccc1)C(=O)NCC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide?
The InChIKey is FXBIYJQMPWINSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-3-12(16(22)19-10-14(17)18)9-11(2)15(21)20-13-7-5-4-6-8-13/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide?
N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide has a molecular weight of 312.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-4-ethyl-2-methyl-N-phenylpentanediamide is sourced from PubChem (CID 154596297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).