5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide

C19H23FN2O2 — CID 124842384

IUPAC5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide
SMILESCC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)17-13(10-16(24-17)18(21)23)11-22-9-8-15(22)12-4-6-14(20)7-5-12/h4-7,10,15H,8-9,11H2,1-3H3,(H2,21,23)/t15-/m1/s1
InChIKeyCBRAMZCZJQHCSU-OAHLLOKOSA-N
MW330.40 g/mol
LogP3.76
Rot. Bonds4

About 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide

5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide (PubChem CID 124842384) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide
PubChem CID124842384
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide
SMILESCC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)17-13(10-16(24-17)18(21)23)11-22-9-8-15(22)12-4-6-14(20)7-5-12/h4-7,10,15H,8-9,11H2,1-3H3,(H2,21,23)/t15-/m1/s1
InChIKeyCBRAMZCZJQHCSU-OAHLLOKOSA-N
XLogP3.76
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide (CID 124842384) is 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide is CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is CBRAMZCZJQHCSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(2,3)17-13(10-16(24-17)18(21)23)11-22-9-8-15(22)12-4-6-14(20)7-5-12/h4-7,10,15H,8-9,11H2,1-3H3,(H2,21,23)/t15-/m1/s1.
What are the key properties of 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide?
5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124842384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).