2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

C15H21F2N3O2 — CID 56815212

IUPAC2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C15H21F2N3O2/c1-10(2)20(8-14(18)21)9-15(22)19-7-6-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyDLDBAORHMXGMFG-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.82
Rot. Bonds8

About 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 56815212) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID56815212
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C15H21F2N3O2/c1-10(2)20(8-14(18)21)9-15(22)19-7-6-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyDLDBAORHMXGMFG-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 56815212) is 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)NCCc1c(F)cccc1F.
What is the InChIKey of 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is DLDBAORHMXGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-10(2)20(8-14(18)21)9-15(22)19-7-6-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 313.35 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 56815212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).