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

C17H15ClFNO2 — CID 58485436

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
SMILESCOc1ccc(Cl)cc1CC1(C)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H15ClFNO2/c1-17(9-10-7-11(18)3-6-15(10)22-2)13-8-12(19)4-5-14(13)20-16(17)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyDBJGYXJVWOEGSO-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.94
Rot. Bonds3

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

3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one (PubChem CID 58485436) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
PubChem CID58485436
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
SMILESCOc1ccc(Cl)cc1CC1(C)C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H15ClFNO2/c1-17(9-10-7-11(18)3-6-15(10)22-2)13-8-12(19)4-5-14(13)20-16(17)21/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyDBJGYXJVWOEGSO-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one
CID 58386493
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one
CID 143785636
2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-4-fluoroaniline
CID 81192658
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
(2'S,3R)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897641
(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897645
5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82129747
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one (CID 58485436) is 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one is COc1ccc(Cl)cc1CC1(C)C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one?
The InChIKey is DBJGYXJVWOEGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-17(9-10-7-11(18)3-6-15(10)22-2)13-8-12(19)4-5-14(13)20-16(17)21/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one?
3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one has a molecular weight of 319.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one is sourced from PubChem (CID 58485436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).