5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one

C20H18BrClN2O2 — CID 171132427

IUPAC5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
SMILESO=C1C(=Cc2cccc(Cl)c2)c2cc(Br)ccc2N1CN1CCOCC1
InChIInChI=1S/C20H18BrClN2O2/c21-15-4-5-19-17(12-15)18(11-14-2-1-3-16(22)10-14)20(25)24(19)13-23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2
InChIKeyIUHGJBKLHPYKIW-UHFFFAOYSA-N
MW433.73 g/mol
LogP4.28
Rot. Bonds3

About 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one

5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 171132427) has the molecular formula C20H18BrClN2O2 and a molecular weight of 433.73 g/mol. Its IUPAC name is 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID171132427
Molecular FormulaC20H18BrClN2O2
Molecular Weight433.73 g/mol
Exact Mass432.02
IUPAC Name5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
SMILESO=C1C(=Cc2cccc(Cl)c2)c2cc(Br)ccc2N1CN1CCOCC1
InChIInChI=1S/C20H18BrClN2O2/c21-15-4-5-19-17(12-15)18(11-14-2-1-3-16(22)10-14)20(25)24(19)13-23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2
InChIKeyIUHGJBKLHPYKIW-UHFFFAOYSA-N
XLogP4.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.73
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 11589808
3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91050596
5-[[(3E)-5-bromo-3-[(3-nitrophenyl)methylidene]-2-oxoindol-1-yl]methyl]furan-2-carbaldehyde
CID 141129216
(3Z)-5-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methylindol-2-one
CID 2128330
3-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3505302
5-[[(3E)-5-bromo-3-[(4-bromophenyl)methylidene]-2-oxoindol-1-yl]methyl]furan-2-carbaldehyde
CID 141249110
3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91110421
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1348910
5-bromo-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 3658866
(3E)-5-bromo-1-(morpholin-4-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one
CID 5481130
1-(morpholin-4-ylmethyl)-5-nitroindole-2,3-dione
CID 2828271
5-bromo-1-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 3620069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one (CID 171132427) is 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one is O=C1C(=Cc2cccc(Cl)c2)c2cc(Br)ccc2N1CN1CCOCC1.
What is the InChIKey of 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is IUHGJBKLHPYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2/c21-15-4-5-19-17(12-15)18(11-14-2-1-3-16(22)10-14)20(25)24(19)13-23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2.
What are the key properties of 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 433.73 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 171132427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).