2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid

C18H15F2NO2 — CID 5123254

IUPAC2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
SMILESCc1cc(C)c2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1
InChIInChI=1S/C18H15F2NO2/c1-9-5-10(2)17-13(6-9)14(8-16(22)23)18(21-17)12-4-3-11(19)7-15(12)20/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyONPGQFLUHQPRKM-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.36
Rot. Bonds3

About 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid

2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid (PubChem CID 5123254) has the molecular formula C18H15F2NO2 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
PubChem CID5123254
Molecular FormulaC18H15F2NO2
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
SMILESCc1cc(C)c2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1
InChIInChI=1S/C18H15F2NO2/c1-9-5-10(2)17-13(6-9)14(8-16(22)23)18(21-17)12-4-3-11(19)7-15(12)20/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyONPGQFLUHQPRKM-UHFFFAOYSA-N
XLogP4.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(5-fluoro-2-methoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4009632
2-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 4569862
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
2-[5,7-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3350180
2-[2-(2,4-difluorophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4667197
2-[5-butoxy-2-(2,4-difluorophenyl)-1H-indol-3-yl]acetic acid
CID 5105644
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
CID 84631831
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
4-[2-(2,4-difluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3985960
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid (CID 5123254) is 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid is Cc1cc(C)c2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
The InChIKey is ONPGQFLUHQPRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2/c1-9-5-10(2)17-13(6-9)14(8-16(22)23)18(21-17)12-4-3-11(19)7-15(12)20/h3-7,21H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid?
2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid has a molecular weight of 315.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).