N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide

C15H21F2N3O2 — CID 86805064

IUPACN-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)N(CCN(C)C)C(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H21F2N3O2/c1-10(2)20(9-8-19(3)4)15(22)14(21)18-13-11(16)6-5-7-12(13)17/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeySGGKJHMJJWMCKO-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.70
Rot. Bonds5

About N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide

N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide (PubChem CID 86805064) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide
PubChem CID86805064
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC NameN-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)N(CCN(C)C)C(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H21F2N3O2/c1-10(2)20(9-8-19(3)4)15(22)14(21)18-13-11(16)6-5-7-12(13)17/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeySGGKJHMJJWMCKO-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide (CID 86805064) is N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide is CC(C)N(CCN(C)C)C(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide?
The InChIKey is SGGKJHMJJWMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-10(2)20(9-8-19(3)4)15(22)14(21)18-13-11(16)6-5-7-12(13)17/h5-7,10H,8-9H2,1-4H3,(H,18,21).
What are the key properties of N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide?
N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide has a molecular weight of 313.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 86805064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).