(2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide

C18H18F2N2O2 — CID 97332648

IUPAC(2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
SMILESC[C@H]1OCC[C@H]1C(=O)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2/c1-12-15(7-9-24-12)18(23)22(11-14-4-2-3-8-21-14)17-6-5-13(19)10-16(17)20/h2-6,8,10,12,15H,7,9,11H2,1H3/t12-,15-/m1/s1
InChIKeyXTOLMFWRKYIRSQ-IUODEOHRSA-N
MW332.35 g/mol
LogP3.32
Rot. Bonds4

About (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide

(2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 97332648) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
PubChem CID97332648
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
SMILESC[C@H]1OCC[C@H]1C(=O)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2/c1-12-15(7-9-24-12)18(23)22(11-14-4-2-3-8-21-14)17-6-5-13(19)10-16(17)20/h2-6,8,10,12,15H,7,9,11H2,1H3/t12-,15-/m1/s1
InChIKeyXTOLMFWRKYIRSQ-IUODEOHRSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide (CID 97332648) is (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide is C[C@H]1OCC[C@H]1C(=O)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is XTOLMFWRKYIRSQ-IUODEOHRSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-12-15(7-9-24-12)18(23)22(11-14-4-2-3-8-21-14)17-6-5-13(19)10-16(17)20/h2-6,8,10,12,15H,7,9,11H2,1H3/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide?
(2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2,4-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 97332648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).