N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide

C23H24F2N2O — CID 10992582

IUPACN-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
SMILESCN1[C@@H]2CC[C@H]1C/C(=C\C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H24F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,20-21,23H,10-13H2,1H3,(H,26,28)/b15-14-/t20-,21+/m1/s1
InChIKeyNNRPWFPWLGYDNQ-JIAZRSBUSA-N
MW382.45 g/mol
LogP4.35
Rot. Bonds4

About N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide

N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide (PubChem CID 10992582) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
PubChem CID10992582
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC NameN-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
SMILESCN1[C@@H]2CC[C@H]1C/C(=C\C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H24F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,20-21,23H,10-13H2,1H3,(H,26,28)/b15-14-/t20-,21+/m1/s1
InChIKeyNNRPWFPWLGYDNQ-JIAZRSBUSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide (CID 10992582) is N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide is CN1[C@@H]2CC[C@H]1C/C(=C\C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
The InChIKey is NNRPWFPWLGYDNQ-JIAZRSBUSA-N. The full InChI is InChI=1S/C23H24F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,20-21,23H,10-13H2,1H3,(H,26,28)/b15-14-/t20-,21+/m1/s1.
What are the key properties of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide?
N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide has a molecular weight of 382.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide is sourced from PubChem (CID 10992582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).