5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one

C15H13BrClNOS — CID 79997257

IUPAC5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
SMILESCc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3C)sc1Br
InChIInChI=1S/C15H13BrClNOS/c1-8-5-12(20-15(8)16)14(17)9-3-4-11-10(6-9)7-13(19)18(11)2/h3-6,14H,7H2,1-2H3
InChIKeyJKRZRZKSHHFALC-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.67
Rot. Bonds2

About 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one

5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one (PubChem CID 79997257) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
PubChem CID79997257
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
SMILESCc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3C)sc1Br
InChIInChI=1S/C15H13BrClNOS/c1-8-5-12(20-15(8)16)14(17)9-3-4-11-10(6-9)7-13(19)18(11)2/h3-6,14H,7H2,1-2H3
InChIKeyJKRZRZKSHHFALC-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-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

5-[chloro-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085613
5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61083787
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61086222
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 81481123
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 107964509
5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084786
5-[bromo-(5-methylthiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61097344
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
2-bromo-5-[chloro-(4-propan-2-ylphenyl)methyl]-3-methylthiophene
CID 79996665
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one (CID 79997257) is 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one is Cc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3C)sc1Br.
What is the InChIKey of 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one?
The InChIKey is JKRZRZKSHHFALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c1-8-5-12(20-15(8)16)14(17)9-3-4-11-10(6-9)7-13(19)18(11)2/h3-6,14H,7H2,1-2H3.
What are the key properties of 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one?
5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one has a molecular weight of 370.70 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 79997257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).