(2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide

C22H26F2N2O2 — CID 170395986

IUPAC(2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2OC(C)(C)[C@H](C)[C@H]2c2ccc(F)c(F)c2C)cn1
InChIInChI=1S/C22H26F2N2O2/c1-6-14-7-8-15(11-25-14)26-21(27)20-18(13(3)22(4,5)28-20)16-9-10-17(23)19(24)12(16)2/h7-11,13,18,20H,6H2,1-5H3,(H,26,27)/t13-,18+,20-/m1/s1
InChIKeyLWPCYAMIKBKKFB-ORPRQENYSA-N
MW388.46 g/mol
LogP4.77
Rot. Bonds4

About (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide

(2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 170395986) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID170395986
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name(2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2OC(C)(C)[C@H](C)[C@H]2c2ccc(F)c(F)c2C)cn1
InChIInChI=1S/C22H26F2N2O2/c1-6-14-7-8-15(11-25-14)26-21(27)20-18(13(3)22(4,5)28-20)16-9-10-17(23)19(24)12(16)2/h7-11,13,18,20H,6H2,1-5H3,(H,26,27)/t13-,18+,20-/m1/s1
InChIKeyLWPCYAMIKBKKFB-ORPRQENYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide (CID 170395986) is (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide is CCc1ccc(NC(=O)[C@@H]2OC(C)(C)[C@H](C)[C@H]2c2ccc(F)c(F)c2C)cn1.
What is the InChIKey of (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is LWPCYAMIKBKKFB-ORPRQENYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-6-14-7-8-15(11-25-14)26-21(27)20-18(13(3)22(4,5)28-20)16-9-10-17(23)19(24)12(16)2/h7-11,13,18,20H,6H2,1-5H3,(H,26,27)/t13-,18+,20-/m1/s1.
What are the key properties of (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide?
(2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-(3,4-difluoro-2-methylphenyl)-N-(6-ethyl-3-pyridinyl)-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 170395986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).