7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C23H22F4N2O2 — CID 175640654

IUPAC7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C23H22F4N2O2/c24-19-14-17(6-7-18(19)23(25,26)27)20(30)29-13-10-22(15-29)9-12-28(21(22)31)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKeySXLZDEINCDBTPF-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.15
Rot. Bonds4

About 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175640654) has the molecular formula C23H22F4N2O2 and a molecular weight of 434.43 g/mol. Its IUPAC name is 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175640654
Molecular FormulaC23H22F4N2O2
Molecular Weight434.43 g/mol
Exact Mass434.16
IUPAC Name7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C23H22F4N2O2/c24-19-14-17(6-7-18(19)23(25,26)27)20(30)29-13-10-22(15-29)9-12-28(21(22)31)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKeySXLZDEINCDBTPF-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-(furan-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45188525
2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45181888
7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645790
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644842
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175640654) is 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1.
What is the InChIKey of 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is SXLZDEINCDBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O2/c24-19-14-17(6-7-18(19)23(25,26)27)20(30)29-13-10-22(15-29)9-12-28(21(22)31)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2.
What are the key properties of 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 434.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175640654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).