(3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C23H22F4N2O3 — CID 93019120

IUPAC(3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F4N2O3/c24-17-6-2-3-7-18(17)28-20(30)19-14-32-22(12-4-1-5-13-22)29(19)21(31)15-8-10-16(11-9-15)23(25,26)27/h2-3,6-11,19H,1,4-5,12-14H2,(H,28,30)/t19-/m1/s1
InChIKeyNEWJGBUGGVQFBE-LJQANCHMSA-N
MW450.43 g/mol
LogP4.98
Rot. Bonds3

About (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

(3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 93019120) has the molecular formula C23H22F4N2O3 and a molecular weight of 450.43 g/mol. Its IUPAC name is (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID93019120
Molecular FormulaC23H22F4N2O3
Molecular Weight450.43 g/mol
Exact Mass450.16
IUPAC Name(3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F4N2O3/c24-17-6-2-3-7-18(17)28-20(30)19-14-32-22(12-4-1-5-13-22)29(19)21(31)15-8-10-16(11-9-15)23(25,26)27/h2-3,6-11,19H,1,4-5,12-14H2,(H,28,30)/t19-/m1/s1
InChIKeyNEWJGBUGGVQFBE-LJQANCHMSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 93019120) is (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is O=C(Nc1ccccc1F)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is NEWJGBUGGVQFBE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22F4N2O3/c24-17-6-2-3-7-18(17)28-20(30)19-14-32-22(12-4-1-5-13-22)29(19)21(31)15-8-10-16(11-9-15)23(25,26)27/h2-3,6-11,19H,1,4-5,12-14H2,(H,28,30)/t19-/m1/s1.
What are the key properties of (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
(3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 450.43 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-fluorophenyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93019120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).