1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide

C13H18F2N2O3 — CID 156609459

IUPAC1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
SMILESCOC1CCOCC1NC(=O)c1ccc(C)n1C(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8-3-4-10(17(8)13(14)15)12(18)16-9-7-20-6-5-11(9)19-2/h3-4,9,11,13H,5-7H2,1-2H3,(H,16,18)
InChIKeyXIRWINXFAMBMBD-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.73
Rot. Bonds4

About 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide

1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide (PubChem CID 156609459) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
PubChem CID156609459
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
SMILESCOC1CCOCC1NC(=O)c1ccc(C)n1C(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8-3-4-10(17(8)13(14)15)12(18)16-9-7-20-6-5-11(9)19-2/h3-4,9,11,13H,5-7H2,1-2H3,(H,16,18)
InChIKeyXIRWINXFAMBMBD-UHFFFAOYSA-N
XLogP1.73
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide (CID 156609459) is 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide is COC1CCOCC1NC(=O)c1ccc(C)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide?
The InChIKey is XIRWINXFAMBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8-3-4-10(17(8)13(14)15)12(18)16-9-7-20-6-5-11(9)19-2/h3-4,9,11,13H,5-7H2,1-2H3,(H,16,18).
What are the key properties of 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide?
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide is sourced from PubChem (CID 156609459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).