N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide

C15H18F2N2O4 — CID 126840011

IUPACN-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
SMILESO=C(CCC(=O)Nc1c(F)cccc1F)NOC1CCCCO1
InChIInChI=1S/C15H18F2N2O4/c16-10-4-3-5-11(17)15(10)18-12(20)7-8-13(21)19-23-14-6-1-2-9-22-14/h3-5,14H,1-2,6-9H2,(H,18,20)(H,19,21)
InChIKeyDEKKLRZDJKIKBE-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.26
Rot. Bonds6

About N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide

N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide (PubChem CID 126840011) has the molecular formula C15H18F2N2O4 and a molecular weight of 328.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
PubChem CID126840011
Molecular FormulaC15H18F2N2O4
Molecular Weight328.31 g/mol
Exact Mass328.12
IUPAC NameN-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
SMILESO=C(CCC(=O)Nc1c(F)cccc1F)NOC1CCCCO1
InChIInChI=1S/C15H18F2N2O4/c16-10-4-3-5-11(17)15(10)18-12(20)7-8-13(21)19-23-14-6-1-2-9-22-14/h3-5,14H,1-2,6-9H2,(H,18,20)(H,19,21)
InChIKeyDEKKLRZDJKIKBE-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 95285310
N-(oxan-2-yloxy)hexanamide
CID 142707517
N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
CID 175242104
N-(oxan-2-yloxy)hex-5-ynamide
CID 163203741
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2559601
4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 89073669
N-(oxan-2-yloxy)-2-pyrimidin-5-ylacetamide
CID 154862278

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide (CID 126840011) is N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide is O=C(CCC(=O)Nc1c(F)cccc1F)NOC1CCCCO1.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide?
The InChIKey is DEKKLRZDJKIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4/c16-10-4-3-5-11(17)15(10)18-12(20)7-8-13(21)19-23-14-6-1-2-9-22-14/h3-5,14H,1-2,6-9H2,(H,18,20)(H,19,21).
What are the key properties of N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide?
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide has a molecular weight of 328.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide is sourced from PubChem (CID 126840011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).