N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide

C15H16F2N2O3 — CID 146150188

IUPACN-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide
SMILESCC1OC2(C)CC1(NC(=O)C(=O)Nc1cccc(F)c1F)C2
InChIInChI=1S/C15H16F2N2O3/c1-8-15(6-14(2,7-15)22-8)19-13(21)12(20)18-10-5-3-4-9(16)11(10)17/h3-5,8H,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZXZHRLLLGTZWBK-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.73
Rot. Bonds2

About N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide

N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide (PubChem CID 146150188) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide
PubChem CID146150188
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC NameN-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide
SMILESCC1OC2(C)CC1(NC(=O)C(=O)Nc1cccc(F)c1F)C2
InChIInChI=1S/C15H16F2N2O3/c1-8-15(6-14(2,7-15)22-8)19-13(21)12(20)18-10-5-3-4-9(16)11(10)17/h3-5,8H,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZXZHRLLLGTZWBK-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
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-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide?
The IUPAC name of N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide (CID 146150188) is N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide is CC1OC2(C)CC1(NC(=O)C(=O)Nc1cccc(F)c1F)C2.
What is the InChIKey of N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide?
The InChIKey is ZXZHRLLLGTZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c1-8-15(6-14(2,7-15)22-8)19-13(21)12(20)18-10-5-3-4-9(16)11(10)17/h3-5,8H,6-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide?
N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide has a molecular weight of 310.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-N'-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)oxamide is sourced from PubChem (CID 146150188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).