1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one

C31H24Br2N2O2 — CID 135027143

IUPAC1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
SMILESO=C1c2ccccc2CCC1C1(Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C31H24Br2N2O2/c32-22-11-14-24(15-12-22)34-31(27-16-10-21-8-4-5-9-25(21)29(27)36)26-17-13-23(33)18-28(26)35(30(31)37)19-20-6-2-1-3-7-20/h1-9,11-15,17-18,27,34H,10,16,19H2
InChIKeyUBIRRHPSSLTZBB-UHFFFAOYSA-N
MW616.35 g/mol
LogP7.51
Rot. Bonds5

About 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one

1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one (PubChem CID 135027143) has the molecular formula C31H24Br2N2O2 and a molecular weight of 616.35 g/mol. Its IUPAC name is 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
PubChem CID135027143
Molecular FormulaC31H24Br2N2O2
Molecular Weight616.35 g/mol
Exact Mass614.02
IUPAC Name1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
SMILESO=C1c2ccccc2CCC1C1(Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C31H24Br2N2O2/c32-22-11-14-24(15-12-22)34-31(27-16-10-21-8-4-5-9-25(21)29(27)36)26-17-13-23(33)18-28(26)35(30(31)37)19-20-6-2-1-3-7-20/h1-9,11-15,17-18,27,34H,10,16,19H2
InChIKeyUBIRRHPSSLTZBB-UHFFFAOYSA-N
XLogP7.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.35
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-1-benzyl-6-bromo-3-[(2S)-2-fluoro-1-oxo-3,4-dihydronaphthalen-2-yl]indol-2-one
CID 132554327
1-benzyl-5-chloro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 66522994
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 95731462
1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one
CID 102334281
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41281297
1-benzyl-5-bromo-3,3-difluoroindol-2-one
CID 102306574
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7394145
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 26413998
(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 102222383
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 1425696
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one?
The IUPAC name of 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one (CID 135027143) is 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one.
What is the SMILES notation for 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one?
The canonical SMILES for 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one is O=C1c2ccccc2CCC1C1(Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one?
The InChIKey is UBIRRHPSSLTZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Br2N2O2/c32-22-11-14-24(15-12-22)34-31(27-16-10-21-8-4-5-9-25(21)29(27)36)26-17-13-23(33)18-28(26)35(30(31)37)19-20-6-2-1-3-7-20/h1-9,11-15,17-18,27,34H,10,16,19H2.
What are the key properties of 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one?
1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one has a molecular weight of 616.35 g/mol, XLogP of 7.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromo-3-(4-bromoanilino)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one is sourced from PubChem (CID 135027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).