(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one

C27H23ClN2O3 — CID 58305353

IUPAC(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C(c1cccc(N2C(=O)[C@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1)N1CCOCC1
InChIInChI=1S/C27H23ClN2O3/c28-20-10-8-18(9-11-20)23-17-27(23)22-6-1-2-7-24(22)30(26(27)32)21-5-3-4-19(16-21)25(31)29-12-14-33-15-13-29/h1-11,16,23H,12-15,17H2/t23-,27-/m1/s1
InChIKeyNIWYPWIVKXUPGD-YIXXDRMTSA-N
MW458.95 g/mol
LogP4.92
Rot. Bonds3

About (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one

(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 58305353) has the molecular formula C27H23ClN2O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID58305353
Molecular FormulaC27H23ClN2O3
Molecular Weight458.95 g/mol
Exact Mass458.14
IUPAC Name(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C(c1cccc(N2C(=O)[C@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1)N1CCOCC1
InChIInChI=1S/C27H23ClN2O3/c28-20-10-8-18(9-11-20)23-17-27(23)22-6-1-2-7-24(22)30(26(27)32)21-5-3-4-19(16-21)25(31)29-12-14-33-15-13-29/h1-11,16,23H,12-15,17H2/t23-,27-/m1/s1
InChIKeyNIWYPWIVKXUPGD-YIXXDRMTSA-N
XLogP4.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one with MolForge

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Related Compounds

(1R,2S)-2-(4-chlorophenyl)-1'-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 67234563
methyl 3-[(1S,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]benzoate
CID 58305377
3-[(1R,2R)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
CID 58305269
2-(4-chlorophenyl)-1'-[[3-(piperazine-1-carbonyl)phenyl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 75988767
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
3-[[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 67233483
(1R,2S)-2-(4-chlorophenyl)-1'-(oxan-4-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one;(1S,2R)-2-(4-chlorophenyl)-1'-(oxan-4-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 161225644
2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
2-chloro-5-[[(1R,2S)-2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 53246913
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 58305353) is (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one is O=C(c1cccc(N2C(=O)[C@]3(C[C@@H]3c3ccc(Cl)cc3)c3ccccc32)c1)N1CCOCC1.
What is the InChIKey of (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is NIWYPWIVKXUPGD-YIXXDRMTSA-N. The full InChI is InChI=1S/C27H23ClN2O3/c28-20-10-8-18(9-11-20)23-17-27(23)22-6-1-2-7-24(22)30(26(27)32)21-5-3-4-19(16-21)25(31)29-12-14-33-15-13-29/h1-11,16,23H,12-15,17H2/t23-,27-/m1/s1.
What are the key properties of (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one?
(1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 458.95 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(4-chlorophenyl)-1'-[3-(morpholine-4-carbonyl)phenyl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 58305353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).