(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone

C28H28ClFN2O2 — CID 69426372

IUPAC(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H28ClFN2O2/c29-23-7-5-21(6-8-23)27(33)32-18-15-28(20-32)13-16-31(17-14-28)19-22-3-1-2-4-26(22)34-25-11-9-24(30)10-12-25/h1-12H,13-20H2
InChIKeyQAYYCPSHKPIIHS-UHFFFAOYSA-N
MW479.00 g/mol
LogP6.40
Rot. Bonds5

About (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone

(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 69426372) has the molecular formula C28H28ClFN2O2 and a molecular weight of 479.00 g/mol. Its IUPAC name is (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID69426372
Molecular FormulaC28H28ClFN2O2
Molecular Weight479.00 g/mol
Exact Mass478.18
IUPAC Name(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H28ClFN2O2/c29-23-7-5-21(6-8-23)27(33)32-18-15-28(20-32)13-16-31(17-14-28)19-22-3-1-2-4-26(22)34-25-11-9-24(30)10-12-25/h1-12H,13-20H2
InChIKeyQAYYCPSHKPIIHS-UHFFFAOYSA-N
XLogP6.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 69432700
(4-chlorophenyl)-[2-[[2-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 69426187
(4-chlorophenyl)-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69427957
(6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69428040
2-[5-chloro-2-[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]-3-[2-[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]butanedioic acid
CID 91441558
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
1-[4-[9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]ethanone
CID 11235882
1-(4-chlorobenzoyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
CID 46213255
[3-(4-chlorobenzoyl)-9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl] 2,2,2-trifluoroacetate
CID 69439077
(4-methoxyphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 69437335
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
[9-[(2-fluoro-5-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
CID 69442872

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 69426372) is (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccc(F)cc3)CC2)C1.
What is the InChIKey of (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is QAYYCPSHKPIIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN2O2/c29-23-7-5-21(6-8-23)27(33)32-18-15-28(20-32)13-16-31(17-14-28)19-22-3-1-2-4-26(22)34-25-11-9-24(30)10-12-25/h1-12H,13-20H2.
What are the key properties of (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 479.00 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 69426372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).