naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate

C32H23ClF4N2O3 — CID 58921168

About naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate

naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate (PubChem CID 58921168) has the molecular formula C32H23ClF4N2O3 and a molecular weight of 594.99 g/mol. Its IUPAC name is naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate.

Molecular Properties

• Compound Name: naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate
• PubChem CID: 58921168
• Molecular Formula: C32H23ClF4N2O3
• Molecular Weight: 594.99 g/mol
• Exact Mass: 594.13
• IUPAC Name: naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate
• SMILES: O=C(N[C@](Cc1ccccc1)(c1cccc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)Oc1ccc2ccccc2c1
• InChI: InChI=1S/C32H23ClF4N2O3/c33-25-14-16-28(38-20-25)31(19-21-7-2-1-3-8-21,24-11-6-12-27(18-24)42-32(36,37)29(34)35)39-30(40)41-26-15-13-22-9-4-5-10-23(22)17-26/h1-18,20,29H,19H2,(H,39,40)/t31-/m1/s1
• InChIKey: SYZFIYAUTOJFTD-WJOKGBTCSA-N
• XLogP: 8.40
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.99
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate?

The IUPAC name of naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate (CID 58921168) is naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate.

What is the SMILES notation for naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate?

The canonical SMILES for naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate is O=C(N[C@](Cc1ccccc1)(c1cccc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)Oc1ccc2ccccc2c1.

What is the InChIKey of naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate?

The InChIKey is SYZFIYAUTOJFTD-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H23ClF4N2O3/c33-25-14-16-28(38-20-25)31(19-21-7-2-1-3-8-21,24-11-6-12-27(18-24)42-32(36,37)29(34)35)39-30(40)41-26-15-13-22-9-4-5-10-23(22)17-26/h1-18,20,29H,19H2,(H,39,40)/t31-/m1/s1.

What are the key properties of naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate?

naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate has a molecular weight of 594.99 g/mol, XLogP of 8.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 58921168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).