(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one

C20H20BrNO — CID 1265815

IUPAC(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)C12CCCCC2
InChIInChI=1S/C20H20BrNO/c21-16-11-9-15(10-12-16)18-20(13-5-2-6-14-20)19(23)22(18)17-7-3-1-4-8-17/h1,3-4,7-12,18H,2,5-6,13-14H2/t18-/m1/s1
InChIKeyZRYPSXZFUJSPGS-GOSISDBHSA-N
MW370.29 g/mol
LogP5.49
Rot. Bonds2

About (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one

(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 1265815) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID1265815
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC Name(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)C12CCCCC2
InChIInChI=1S/C20H20BrNO/c21-16-11-9-15(10-12-16)18-20(13-5-2-6-14-20)19(23)22(18)17-7-3-1-4-8-17/h1,3-4,7-12,18H,2,5-6,13-14H2/t18-/m1/s1
InChIKeyZRYPSXZFUJSPGS-GOSISDBHSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-2-azaspiro[3.5]nonan-3-one
CID 7304830
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
(1R)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-2-phenyl-2-azaspiro[3.5]nonane-3,7-dione
CID 154525397
1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 24951862
(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
CID 125450111
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
CID 2316341
4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64962592
1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione
CID 10782866
1-(4-bromophenyl)-7-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 59686031
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one (CID 1265815) is (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one is O=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)C12CCCCC2.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is ZRYPSXZFUJSPGS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20BrNO/c21-16-11-9-15(10-12-16)18-20(13-5-2-6-14-20)19(23)22(18)17-7-3-1-4-8-17/h1,3-4,7-12,18H,2,5-6,13-14H2/t18-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one?
(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 370.29 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 1265815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).