2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C18H16FN5O — CID 3185057

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN5O/c1-12-10-13-6-2-5-9-16(13)24(12)17(25)11-23-21-18(20-22-23)14-7-3-4-8-15(14)19/h2-9,12H,10-11H2,1H3
InChIKeyRLTIVWAIERDMNU-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.46
Rot. Bonds3

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3185057) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3185057
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN5O/c1-12-10-13-6-2-5-9-16(13)24(12)17(25)11-23-21-18(20-22-23)14-7-3-4-8-15(14)19/h2-9,12H,10-11H2,1H3
InChIKeyRLTIVWAIERDMNU-UHFFFAOYSA-N
XLogP2.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3185057) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RLTIVWAIERDMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12-10-13-6-2-5-9-16(13)24(12)17(25)11-23-21-18(20-22-23)14-7-3-4-8-15(14)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 337.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3185057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).