(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide

C33H34Cl2FN3O3 — CID 58286369

IUPAC(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide
SMILESCC(C)(C)C[C@@H]1C[C@@H](C(=O)Nc2ccc(CCC(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C33H34Cl2FN3O3/c1-32(2,3)17-19-15-23(30(41)38-21-11-7-18(8-12-21)9-14-27(37)40)28(22-5-4-6-25(35)29(22)36)33(19)24-13-10-20(34)16-26(24)39-31(33)42/h4-8,10-13,16,19,23,28H,9,14-15,17H2,1-3H3,(H2,37,40)(H,38,41)(H,39,42)/t19-,23+,28-,33-/m0/s1
InChIKeyXXHGOGBBGTXRJT-RWRZTBHESA-N
MW610.56 g/mol
LogP7.24
Rot. Bonds7

About (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide

(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide (PubChem CID 58286369) has the molecular formula C33H34Cl2FN3O3 and a molecular weight of 610.56 g/mol. Its IUPAC name is (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide
PubChem CID58286369
Molecular FormulaC33H34Cl2FN3O3
Molecular Weight610.56 g/mol
Exact Mass609.20
IUPAC Name(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide
SMILESCC(C)(C)C[C@@H]1C[C@@H](C(=O)Nc2ccc(CCC(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C33H34Cl2FN3O3/c1-32(2,3)17-19-15-23(30(41)38-21-11-7-18(8-12-21)9-14-27(37)40)28(22-5-4-6-25(35)29(22)36)33(19)24-13-10-20(34)16-26(24)39-31(33)42/h4-8,10-13,16,19,23,28H,9,14-15,17H2,1-3H3,(H2,37,40)(H,38,41)(H,39,42)/t19-,23+,28-,33-/m0/s1
InChIKeyXXHGOGBBGTXRJT-RWRZTBHESA-N
XLogP7.24
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.56
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (1'S,2'S,3S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxylate
CID 71567994
(1'S,2'S,3S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide
CID 71567995
2-[4-[[(2'R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbonyl]amino]phenyl]acetic acid
CID 66625294
(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 67376770
(2'R,3'R,5'S)-N-(3-carbamoylphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67227479
[(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-yl] N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate
CID 118113690
N-(4-carbamoyl-3-methoxyphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 75985809
(2'R,3'R,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[4-(2-hydroxyethoxy)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67227801
(2'R,3'R,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(2-cyanopyrimidin-5-yl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67228007
4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 123884660
N-(4-carbamoyl-2-fluorophenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 75986021
[(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-yl] N-(4-cyanophenyl)carbamate
CID 118113774

Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide?
The IUPAC name of (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide (CID 58286369) is (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide.
What is the SMILES notation for (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide?
The canonical SMILES for (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide is CC(C)(C)C[C@@H]1C[C@@H](C(=O)Nc2ccc(CCC(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide?
The InChIKey is XXHGOGBBGTXRJT-RWRZTBHESA-N. The full InChI is InChI=1S/C33H34Cl2FN3O3/c1-32(2,3)17-19-15-23(30(41)38-21-11-7-18(8-12-21)9-14-27(37)40)28(22-5-4-6-25(35)29(22)36)33(19)24-13-10-20(34)16-26(24)39-31(33)42/h4-8,10-13,16,19,23,28H,9,14-15,17H2,1-3H3,(H2,37,40)(H,38,41)(H,39,42)/t19-,23+,28-,33-/m0/s1.
What are the key properties of (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide?
(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide has a molecular weight of 610.56 g/mol, XLogP of 7.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide is sourced from PubChem (CID 58286369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).