1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one

C22H17BrClNO — CID 139259282

IUPAC1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
SMILESO=C1C(Cc2ccc(Br)cc2)c2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C22H17BrClNO/c23-17-8-6-15(7-9-17)12-20-19-13-18(24)10-11-21(19)25(22(20)26)14-16-4-2-1-3-5-16/h1-11,13,20H,12,14H2
InChIKeyJZGZRIWSUQLCTE-UHFFFAOYSA-N
MW426.74 g/mol
LogP5.98
Rot. Bonds4

About 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one

1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one (PubChem CID 139259282) has the molecular formula C22H17BrClNO and a molecular weight of 426.74 g/mol. Its IUPAC name is 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
PubChem CID139259282
Molecular FormulaC22H17BrClNO
Molecular Weight426.74 g/mol
Exact Mass425.02
IUPAC Name1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
SMILESO=C1C(Cc2ccc(Br)cc2)c2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C22H17BrClNO/c23-17-8-6-15(7-9-17)12-20-19-13-18(24)10-11-21(19)25(22(20)26)14-16-4-2-1-3-5-16/h1-11,13,20H,12,14H2
InChIKeyJZGZRIWSUQLCTE-UHFFFAOYSA-N
XLogP5.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.74
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-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

1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
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-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 25053747
(Z)-3-(1-benzyl-5-chloro-2-oxo-3H-indol-3-yl)-2-(trifluoromethyl)prop-2-enoic acid
CID 175360108
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one
CID 26367872
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one (CID 139259282) is 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one is O=C1C(Cc2ccc(Br)cc2)c2cc(Cl)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one?
The InChIKey is JZGZRIWSUQLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClNO/c23-17-8-6-15(7-9-17)12-20-19-13-18(24)10-11-21(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-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one?
1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one has a molecular weight of 426.74 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one is sourced from PubChem (CID 139259282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).