(2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide

C30H32F2N4O2 — CID 70682102

IUPAC(2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1
InChIInChI=1S/C30H32F2N4O2/c31-22-10-9-20-14-19(7-8-21(20)15-22)18-36-24-11-12-25(36)17-23(16-24)33-30(38)35-13-3-6-28(35)29(37)34-27-5-2-1-4-26(27)32/h1-2,4-5,7-10,14-15,23-25,28H,3,6,11-13,16-18H2,(H,33,38)(H,34,37)/t24-,25-,28+/m1/s1
InChIKeySODXMFCMLOOZQF-SKVJQKLOSA-N
MW518.61 g/mol
LogP5.43
Rot. Bonds5

About (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 70682102) has the molecular formula C30H32F2N4O2 and a molecular weight of 518.61 g/mol. Its IUPAC name is (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID70682102
Molecular FormulaC30H32F2N4O2
Molecular Weight518.61 g/mol
Exact Mass518.25
IUPAC Name(2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1
InChIInChI=1S/C30H32F2N4O2/c31-22-10-9-20-14-19(7-8-21(20)15-22)18-36-24-11-12-25(36)17-23(16-24)33-30(38)35-13-3-6-28(35)29(37)34-27-5-2-1-4-26(27)32/h1-2,4-5,7-10,14-15,23-25,28H,3,6,11-13,16-18H2,(H,33,38)(H,34,37)/t24-,25-,28+/m1/s1
InChIKeySODXMFCMLOOZQF-SKVJQKLOSA-N
XLogP5.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide (CID 70682102) is (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1.
What is the InChIKey of (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is SODXMFCMLOOZQF-SKVJQKLOSA-N. The full InChI is InChI=1S/C30H32F2N4O2/c31-22-10-9-20-14-19(7-8-21(20)15-22)18-36-24-11-12-25(36)17-23(16-24)33-30(38)35-13-3-6-28(35)29(37)34-27-5-2-1-4-26(27)32/h1-2,4-5,7-10,14-15,23-25,28H,3,6,11-13,16-18H2,(H,33,38)(H,34,37)/t24-,25-,28+/m1/s1.
What are the key properties of (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 518.61 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 70682102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).