2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C20H20F2N2O — CID 131660592

IUPAC2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C20H20F2N2O/c21-16-6-4-15(5-7-16)12-23-9-8-20(13-23)11-19(25)24(14-20)18-3-1-2-17(22)10-18/h1-7,10H,8-9,11-14H2
InChIKeyXGTRKMPODUOQGY-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.59
Rot. Bonds3

About 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131660592) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131660592
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C20H20F2N2O/c21-16-6-4-15(5-7-16)12-23-9-8-20(13-23)11-19(25)24(14-20)18-3-1-2-17(22)10-18/h1-7,10H,8-9,11-14H2
InChIKeyXGTRKMPODUOQGY-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373990
(5S)-9-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373517
4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
4-(3-fluorophenyl)-9-[(4-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985981
2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131640685
2-(3-fluorophenyl)-7-(furan-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131642152
2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986144
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 167998872
(5R)-9-(3-fluorophenyl)-2-(furan-3-ylmethyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373508
4-(3-fluorophenyl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131659019
(5S)-9-(3-fluorophenyl)-6-methyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373509
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 131660592) is 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCN(Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is XGTRKMPODUOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c21-16-6-4-15(5-7-16)12-23-9-8-20(13-23)11-19(25)24(14-20)18-3-1-2-17(22)10-18/h1-7,10H,8-9,11-14H2.
What are the key properties of 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 342.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131660592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).