(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C25H21ClN2O3 — CID 125025104

IUPAC(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C(c1ccccc1-c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2
InChIInChI=1S/C25H21ClN2O3/c26-19-10-12-20(13-11-19)28-17-25(31-24(28)30)14-15-27(16-25)23(29)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13H,14-17H2/t25-/m1/s1
InChIKeyZKDWNJHFCRVMDF-RUZDIDTESA-N
MW432.91 g/mol
LogP5.25
Rot. Bonds3

About (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 125025104) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID125025104
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C(c1ccccc1-c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2
InChIInChI=1S/C25H21ClN2O3/c26-19-10-12-20(13-11-19)28-17-25(31-24(28)30)14-15-27(16-25)23(29)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13H,14-17H2/t25-/m1/s1
InChIKeyZKDWNJHFCRVMDF-RUZDIDTESA-N
XLogP5.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-[(4-fluorophenyl)methyl]-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459136
(5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125021100
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
7-[2-(2-morpholin-4-ylethoxy)benzoyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110151711
(5R)-3-(4-chlorophenyl)-9-[2-(imidazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129457548
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 132772541
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
3-(3-chlorophenyl)-7-[6-[(2-fluorophenyl)methyl]pyridine-2-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 155986459
(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459763

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 125025104) is (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C(c1ccccc1-c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ZKDWNJHFCRVMDF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21ClN2O3/c26-19-10-12-20(13-11-19)28-17-25(31-24(28)30)14-15-27(16-25)23(29)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13H,14-17H2/t25-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 432.91 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 125025104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).