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

C16H13Cl2NO — CID 61083787

IUPAC5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H13Cl2NO/c1-19-14-7-4-11(8-12(14)9-15(19)20)16(18)10-2-5-13(17)6-3-10/h2-8,16H,9H2,1H3
InChIKeyWFFVPSZNJLPRFU-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.19
Rot. Bonds2

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

5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 61083787) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID61083787
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H13Cl2NO/c1-19-14-7-4-11(8-12(14)9-15(19)20)16(18)10-2-5-13(17)6-3-10/h2-8,16H,9H2,1H3
InChIKeyWFFVPSZNJLPRFU-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084786
5-[chloro-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085613
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61087964
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 107964509
5-[bromo-(3-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098342
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61086222
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 81481123
5-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
CID 79997257

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one (CID 61083787) is 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Cl)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is WFFVPSZNJLPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-19-14-7-4-11(8-12(14)9-15(19)20)16(18)10-2-5-13(17)6-3-10/h2-8,16H,9H2,1H3.
What are the key properties of 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 306.19 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61083787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).