2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide

C20H27F3N2O2 — CID 67359855

IUPAC2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@H]1COCC[C@H]1N1CCCC1
InChIInChI=1S/C20H27F3N2O2/c1-3-14-11-15(20(21,22)23)10-13(2)18(14)19(26)24-16-12-27-9-6-17(16)25-7-4-5-8-25/h10-11,16-17H,3-9,12H2,1-2H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyBWEHQEUSNVLZDB-DLBZAZTESA-N
MW384.44 g/mol
LogP3.56
Rot. Bonds4

About 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide

2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 67359855) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID67359855
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@H]1COCC[C@H]1N1CCCC1
InChIInChI=1S/C20H27F3N2O2/c1-3-14-11-15(20(21,22)23)10-13(2)18(14)19(26)24-16-12-27-9-6-17(16)25-7-4-5-8-25/h10-11,16-17H,3-9,12H2,1-2H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyBWEHQEUSNVLZDB-DLBZAZTESA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide (CID 67359855) is 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide is CCc1cc(C(F)(F)F)cc(C)c1C(=O)N[C@H]1COCC[C@H]1N1CCCC1.
What is the InChIKey of 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is BWEHQEUSNVLZDB-DLBZAZTESA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-3-14-11-15(20(21,22)23)10-13(2)18(14)19(26)24-16-12-27-9-6-17(16)25-7-4-5-8-25/h10-11,16-17H,3-9,12H2,1-2H3,(H,24,26)/t16-,17+/m0/s1.
What are the key properties of 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide?
2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 67359855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).