N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide

C35H35ClN2O2 — CID 46890260

About N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide

N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide (PubChem CID 46890260) has the molecular formula C35H35ClN2O2 and a molecular weight of 551.13 g/mol. Its IUPAC name is N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide
• PubChem CID: 46890260
• Molecular Formula: C35H35ClN2O2
• Molecular Weight: 551.13 g/mol
• Exact Mass: 550.24
• IUPAC Name: N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(Cl)c3)c3ccccc23)c1
• InChI: InChI=1S/C35H35ClN2O2/c1-22(39)37-25-9-7-8-23(16-25)27-14-15-28(30-11-6-5-10-29(27)30)24-12-13-31(32(36)17-24)33(40)38-21-35(4)19-26(38)18-34(2,3)20-35/h5-17,26H,18-21H2,1-4H3,(H,37,39)/t26-,35-/m1/s1
• InChIKey: NFVFCVRXAAZGMR-JXSYCYSGSA-N
• XLogP: 8.83
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.13
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide?

The IUPAC name of N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide (CID 46890260) is N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(Cl)c3)c3ccccc23)c1.

What is the InChIKey of N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide?

The InChIKey is NFVFCVRXAAZGMR-JXSYCYSGSA-N. The full InChI is InChI=1S/C35H35ClN2O2/c1-22(39)37-25-9-7-8-23(16-25)27-14-15-28(30-11-6-5-10-29(27)30)24-12-13-31(32(36)17-24)33(40)38-21-35(4)19-26(38)18-34(2,3)20-35/h5-17,26H,18-21H2,1-4H3,(H,37,39)/t26-,35-/m1/s1.

What are the key properties of N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide?

N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide has a molecular weight of 551.13 g/mol, XLogP of 8.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide is sourced from PubChem (CID 46890260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).