1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid

C19H15F2NO3 — CID 120691321

IUPAC1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC2c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C19H15F2NO3/c20-10-5-6-11(16(21)7-10)13-8-14(13)18(23)22-9-15(19(24)25)12-3-1-2-4-17(12)22/h1-7,13-15H,8-9H2,(H,24,25)
InChIKeyHJWXCCUMNGJALU-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691321) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691321
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CC2c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C19H15F2NO3/c20-10-5-6-11(16(21)7-10)13-8-14(13)18(23)22-9-15(19(24)25)12-3-1-2-4-17(12)22/h1-7,13-15H,8-9H2,(H,24,25)
InChIKeyHJWXCCUMNGJALU-UHFFFAOYSA-N
XLogP3.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691321) is 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)C2CC2c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is HJWXCCUMNGJALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c20-10-5-6-11(16(21)7-10)13-8-14(13)18(23)22-9-15(19(24)25)12-3-1-2-4-17(12)22/h1-7,13-15H,8-9H2,(H,24,25).
What are the key properties of 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 343.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).