1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one

C22H17Br2NO — CID 139259299

IUPAC1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
SMILESO=C1C(Cc2ccc(Br)cc2)c2ccc(Br)cc2N1Cc1ccccc1
InChIInChI=1S/C22H17Br2NO/c23-17-8-6-15(7-9-17)12-20-19-11-10-18(24)13-21(19)25(22(20)26)14-16-4-2-1-3-5-16/h1-11,13,20H,12,14H2
InChIKeyOSXFJUCNCAIDMB-UHFFFAOYSA-N
MW471.19 g/mol
LogP6.08
Rot. Bonds4

About 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one

1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one (PubChem CID 139259299) has the molecular formula C22H17Br2NO and a molecular weight of 471.19 g/mol. Its IUPAC name is 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
PubChem CID139259299
Molecular FormulaC22H17Br2NO
Molecular Weight471.19 g/mol
Exact Mass468.97
IUPAC Name1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
SMILESO=C1C(Cc2ccc(Br)cc2)c2ccc(Br)cc2N1Cc1ccccc1
InChIInChI=1S/C22H17Br2NO/c23-17-8-6-15(7-9-17)12-20-19-11-10-18(24)13-21(19)25(22(20)26)14-16-4-2-1-3-5-16/h1-11,13,20H,12,14H2
InChIKeyOSXFJUCNCAIDMB-UHFFFAOYSA-N
XLogP6.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.19
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
CID 139259282
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
CID 141158846
3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3H-indol-2-one
CID 12043741
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
1-benzyl-7-bromo-3-(difluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 164577874
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
4-benzyl-6-bromo-1,4-benzoxazin-3-one
CID 68733662
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573205
1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 118546703

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one (CID 139259299) is 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one is O=C1C(Cc2ccc(Br)cc2)c2ccc(Br)cc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one?
The InChIKey is OSXFJUCNCAIDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Br2NO/c23-17-8-6-15(7-9-17)12-20-19-11-10-18(24)13-21(19)25(22(20)26)14-16-4-2-1-3-5-16/h1-11,13,20H,12,14H2.
What are the key properties of 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one?
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one has a molecular weight of 471.19 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 139259299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).