CID 132605390

C32H24ClN3O3 — CID 132605390

IUPAC—
SMILESO=C(c1ccc(Cl)cc1)[C@H]1[C@H](Cc2ccccc2)N[C@@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C32H24ClN3O3/c33-21-16-14-20(15-17-21)28(37)27-26(18-19-8-2-1-3-9-19)36-32(23-11-5-7-13-25(23)35-30(32)39)31(27)22-10-4-6-12-24(22)34-29(31)38/h1-17,26-27,36H,18H2,(H,34,38)(H,35,39)/t26-,27+,31+,32-/m0/s1
InChIKeyMJURIBJZHOEEAX-MAMCHFAYSA-N
MW534.02 g/mol
LogP5.09
Rot. Bonds4

About CID 132605390

CID 132605390 (PubChem CID 132605390) has the molecular formula C32H24ClN3O3 and a molecular weight of 534.02 g/mol.

Molecular Properties

Compound NameCID 132605390
PubChem CID132605390
Molecular FormulaC32H24ClN3O3
Molecular Weight534.02 g/mol
Exact Mass533.15
IUPAC Name—
SMILESO=C(c1ccc(Cl)cc1)[C@H]1[C@H](Cc2ccccc2)N[C@@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C32H24ClN3O3/c33-21-16-14-20(15-17-21)28(37)27-26(18-19-8-2-1-3-9-19)36-32(23-11-5-7-13-25(23)35-30(32)39)31(27)22-10-4-6-12-24(22)34-29(31)38/h1-17,26-27,36H,18H2,(H,34,38)(H,35,39)/t26-,27+,31+,32-/m0/s1
InChIKeyMJURIBJZHOEEAX-MAMCHFAYSA-N
XLogP5.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.02
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione
CID 139068687
6'-(4-chlorobenzoyl)spiro[1H-indole-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 5311574
(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 175663546
(4'R,5'S)-3'-(4-chlorobenzoyl)-4'-(4-ethoxyphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935819
(2'S,3S,3'R,10'bR)-2',3'-bis(4-chlorobenzoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
CID 98454374
CID 4910196
CID 4910196
(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935805
(1'R,2'S,3S,3'aR)-1'-benzoyl-2'-(4-chlorobenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98454237
(1'S,2'R,3R,3'aS)-2'-benzoyl-1'-(4-chlorobenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124773307
(2'R,3R,3'S,10'bR)-3'-(2-chlorobenzoyl)-2'-(4-chlorobenzoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
CID 100847075
(1S,3S,3aS,6aS)-5-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 51554717
(3R,3'S,4'S,5'R)-3'-benzoyl-5'-(2-methylpropyl)-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 51668742

Frequently Asked Questions

What is the IUPAC name of CID 132605390?
The IUPAC name of CID 132605390 (CID 132605390) is not available.
What is the SMILES notation for CID 132605390?
The canonical SMILES for CID 132605390 is O=C(c1ccc(Cl)cc1)[C@H]1[C@H](Cc2ccccc2)N[C@@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 132605390?
The InChIKey is MJURIBJZHOEEAX-MAMCHFAYSA-N. The full InChI is InChI=1S/C32H24ClN3O3/c33-21-16-14-20(15-17-21)28(37)27-26(18-19-8-2-1-3-9-19)36-32(23-11-5-7-13-25(23)35-30(32)39)31(27)22-10-4-6-12-24(22)34-29(31)38/h1-17,26-27,36H,18H2,(H,34,38)(H,35,39)/t26-,27+,31+,32-/m0/s1.
What are the key properties of CID 132605390?
CID 132605390 has a molecular weight of 534.02 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132605390 is sourced from PubChem (CID 132605390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).