(2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide

C19H17FN2O2 — CID 171775428

IUPAC(2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C19H17FN2O2/c20-15-4-2-13(3-5-15)18-10-14-9-12(1-6-17(14)24-18)11-22-8-7-16(22)19(21)23/h1-6,9-10,16H,7-8,11H2,(H2,21,23)/t16-/m0/s1
InChIKeyICKDSWBTYFRFBJ-INIZCTEOSA-N
MW324.36 g/mol
LogP3.30
Rot. Bonds4

About (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide

(2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide (PubChem CID 171775428) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide
PubChem CID171775428
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C19H17FN2O2/c20-15-4-2-13(3-5-15)18-10-14-9-12(1-6-17(14)24-18)11-22-8-7-16(22)19(21)23/h1-6,9-10,16H,7-8,11H2,(H2,21,23)/t16-/m0/s1
InChIKeyICKDSWBTYFRFBJ-INIZCTEOSA-N
XLogP3.30
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide (CID 171775428) is (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide is NC(=O)[C@@H]1CCN1Cc1ccc2oc(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide?
The InChIKey is ICKDSWBTYFRFBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-4-2-13(3-5-15)18-10-14-9-12(1-6-17(14)24-18)11-22-8-7-16(22)19(21)23/h1-6,9-10,16H,7-8,11H2,(H2,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide?
(2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(4-fluorophenyl)-1-benzofuran-5-yl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 171775428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).