N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide

C23H27ClF2N2O2 — CID 171493849

About N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide

N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 171493849) has the molecular formula C23H27ClF2N2O2 and a molecular weight of 436.93 g/mol. Its IUPAC name is N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
• PubChem CID: 171493849
• Molecular Formula: C23H27ClF2N2O2
• Molecular Weight: 436.93 g/mol
• Exact Mass: 436.17
• IUPAC Name: N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
• SMILES: CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(C)(F)F)C1
• InChI: InChI=1S/C23H27ClF2N2O2/c1-22(2,3)27-21(29)28-13-17(14-28)30-20(15-9-11-16(24)12-10-15)18-7-5-6-8-19(18)23(4,25)26/h5-12,17,20H,13-14H2,1-4H3,(H,27,29)/t20-/m1/s1
• InChIKey: APYKNUXWHNWKKU-HXUWFJFHSA-N
• XLogP: 5.75
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.93
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide?

The IUPAC name of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 171493849) is N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide.

What is the SMILES notation for N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide?

The canonical SMILES for N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(C)(F)F)C1.

What is the InChIKey of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide?

The InChIKey is APYKNUXWHNWKKU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27ClF2N2O2/c1-22(2,3)27-21(29)28-13-17(14-28)30-20(15-9-11-16(24)12-10-15)18-7-5-6-8-19(18)23(4,25)26/h5-12,17,20H,13-14H2,1-4H3,(H,27,29)/t20-/m1/s1.

What are the key properties of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide?

N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 436.93 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 171493849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).