(4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one

C22H24F2N2O — CID 92572954

IUPAC(4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one
SMILESO=C1CCCC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C22H24F2N2O/c23-19-9-3-1-7-16(19)13-26-14-18(17-8-2-4-10-20(17)24)22(15-26)12-6-5-11-21(27)25-22/h1-4,7-10,18H,5-6,11-15H2,(H,25,27)/t18-,22+/m0/s1
InChIKeyKXHIMDNUIOUBQU-PGRDOPGGSA-N
MW370.44 g/mol
LogP3.99
Rot. Bonds3

About (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one

(4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one (PubChem CID 92572954) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one
PubChem CID92572954
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name(4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one
SMILESO=C1CCCC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C22H24F2N2O/c23-19-9-3-1-7-16(19)13-26-14-18(17-8-2-4-10-20(17)24)22(15-26)12-6-5-11-21(27)25-22/h1-4,7-10,18H,5-6,11-15H2,(H,25,27)/t18-,22+/m0/s1
InChIKeyKXHIMDNUIOUBQU-PGRDOPGGSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one?
The IUPAC name of (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one (CID 92572954) is (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one is O=C1CCCC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2ccccc2F)N1.
What is the InChIKey of (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one?
The InChIKey is KXHIMDNUIOUBQU-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-19-9-3-1-7-16(19)13-26-14-18(17-8-2-4-10-20(17)24)22(15-26)12-6-5-11-21(27)25-22/h1-4,7-10,18H,5-6,11-15H2,(H,25,27)/t18-,22+/m0/s1.
What are the key properties of (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one?
(4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one has a molecular weight of 370.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 92572954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).