[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone

C21H25FN2O — CID 42789636

IUPAC[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c2c(n(Cc3ccccc3F)c1C(=O)N1CCCC1)CCCC2
InChIInChI=1S/C21H25FN2O/c1-15-17-9-3-5-11-19(17)24(14-16-8-2-4-10-18(16)22)20(15)21(25)23-12-6-7-13-23/h2,4,8,10H,3,5-7,9,11-14H2,1H3
InChIKeyOIRSJMVTNIETBG-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.10
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone

[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42789636) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID42789636
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c2c(n(Cc3ccccc3F)c1C(=O)N1CCCC1)CCCC2
InChIInChI=1S/C21H25FN2O/c1-15-17-9-3-5-11-19(17)24(14-16-8-2-4-10-18(16)22)20(15)21(25)23-12-6-7-13-23/h2,4,8,10H,3,5-7,9,11-14H2,1H3
InChIKeyOIRSJMVTNIETBG-UHFFFAOYSA-N
XLogP4.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-[(2,6-difluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carbonyl]piperazin-1-yl]ethanone
CID 42792424
[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789667
(4-ethylpiperazin-1-yl)-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindol-2-yl]methanone
CID 3468302
5-[(2-fluorophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 44564616
9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612310
[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 4229285
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
4-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1,2,4-triazine-3,5-dione
CID 46004776
3-[1-[3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindole-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42789656
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
N-[(2-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074623
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone (CID 42789636) is [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone is Cc1c2c(n(Cc3ccccc3F)c1C(=O)N1CCCC1)CCCC2.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OIRSJMVTNIETBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15-17-9-3-5-11-19(17)24(14-16-8-2-4-10-18(16)22)20(15)21(25)23-12-6-7-13-23/h2,4,8,10H,3,5-7,9,11-14H2,1H3.
What are the key properties of [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone?
[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42789636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).