5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one

C17H15ClFNO — CID 81481123

IUPAC5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1cccc(C(Cl)c2ccc3c(c2)CC(=O)N3C)c1F
InChIInChI=1S/C17H15ClFNO/c1-10-4-3-5-13(17(10)19)16(18)11-6-7-14-12(8-11)9-15(21)20(14)2/h3-8,16H,9H2,1-2H3
InChIKeyKGWGRDPEFPBRSE-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.98
Rot. Bonds2

About 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one

5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 81481123) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID81481123
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1cccc(C(Cl)c2ccc3c(c2)CC(=O)N3C)c1F
InChIInChI=1S/C17H15ClFNO/c1-10-4-3-5-13(17(10)19)16(18)11-6-7-14-12(8-11)9-15(21)20(14)2/h3-8,16H,9H2,1-2H3
InChIKeyKGWGRDPEFPBRSE-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.98
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-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 81479753
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
5-[chloro-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085613
5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084786
5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61083787
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 107964509
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-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1-methyl-3H-indol-2-one
CID 79997257
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[bromo-(2-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098949
5-[bromo-(3-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098342

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one (CID 81481123) is 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one is Cc1cccc(C(Cl)c2ccc3c(c2)CC(=O)N3C)c1F.
What is the InChIKey of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is KGWGRDPEFPBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-10-4-3-5-13(17(10)19)16(18)11-6-7-14-12(8-11)9-15(21)20(14)2/h3-8,16H,9H2,1-2H3.
What are the key properties of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 303.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81481123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).