3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one

C31H29BrCl2N4O4 — CID 66992001

IUPAC3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
SMILESO=C(C1CCCN1C(=O)c1ccc(Br)cc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)N1CCOCC1
InChIInChI=1S/C31H29BrCl2N4O4/c32-20-6-8-23(28(39)38-10-2-5-27(38)29(40)37-11-13-42-14-12-37)25(16-20)36-31(18-19-3-1-4-21(33)15-19)24-9-7-22(34)17-26(24)35-30(31)41/h1,3-4,6-9,15-17,27,36H,2,5,10-14,18H2,(H,35,41)
InChIKeyHCTGIMMDQGRJAA-UHFFFAOYSA-N
MW672.41 g/mol
LogP5.72
Rot. Bonds6

About 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one

3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one (PubChem CID 66992001) has the molecular formula C31H29BrCl2N4O4 and a molecular weight of 672.41 g/mol. Its IUPAC name is 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
PubChem CID66992001
Molecular FormulaC31H29BrCl2N4O4
Molecular Weight672.41 g/mol
Exact Mass670.07
IUPAC Name3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
SMILESO=C(C1CCCN1C(=O)c1ccc(Br)cc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)N1CCOCC1
InChIInChI=1S/C31H29BrCl2N4O4/c32-20-6-8-23(28(39)38-10-2-5-27(38)29(40)37-11-13-42-14-12-37)25(16-20)36-31(18-19-3-1-4-21(33)15-19)24-9-7-22(34)17-26(24)35-30(31)41/h1,3-4,6-9,15-17,27,36H,2,5,10-14,18H2,(H,35,41)
InChIKeyHCTGIMMDQGRJAA-UHFFFAOYSA-N
XLogP5.72
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.41
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one 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

(3S)-1-[4-bromo-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]benzoyl]piperidine-3-carboxamide
CID 174575285
3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 89067918
tert-butyl 3-[[4-bromo-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]benzoyl]amino]piperidine-1-carboxylate
CID 66991692
3-[5-bromo-2-[(3-morpholin-4-ylpropylamino)methyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 57479130
3-[2-(4-acetylpiperazine-1-carbonyl)-5-fluoroanilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 57479199
6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
CID 11998151
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4,5-difluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 70888004
[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methoxybenzoyl]piperidin-4-yl] carbamate
CID 68564856
6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one
CID 66991680
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916
3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
CID 11998894
(2'R,3S,4'R,5'R)-4'-(3-bromophenyl)-6-chloro-2'-(2,2-dimethylpropyl)-5'-(morpholine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 59385537

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?
The IUPAC name of 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one (CID 66992001) is 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one.
What is the SMILES notation for 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?
The canonical SMILES for 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one is O=C(C1CCCN1C(=O)c1ccc(Br)cc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)N1CCOCC1.
What is the InChIKey of 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?
The InChIKey is HCTGIMMDQGRJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29BrCl2N4O4/c32-20-6-8-23(28(39)38-10-2-5-27(38)29(40)37-11-13-42-14-12-37)25(16-20)36-31(18-19-3-1-4-21(33)15-19)24-9-7-22(34)17-26(24)35-30(31)41/h1,3-4,6-9,15-17,27,36H,2,5,10-14,18H2,(H,35,41).
What are the key properties of 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?
3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one has a molecular weight of 672.41 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-[2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one is sourced from PubChem (CID 66992001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).