[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone

C19H20F2N2O2 — CID 128560592

IUPAC[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c([nH]1)CCCC2)N1CC(O)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c20-14-6-5-12(7-15(14)21)18-9-13(24)10-23(18)19(25)17-8-11-3-1-2-4-16(11)22-17/h5-8,13,18,22,24H,1-4,9-10H2
InChIKeyWUPKOMDOUOQCLM-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.12
Rot. Bonds2

About [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone

[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone (PubChem CID 128560592) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
PubChem CID128560592
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c([nH]1)CCCC2)N1CC(O)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c20-14-6-5-12(7-15(14)21)18-9-13(24)10-23(18)19(25)17-8-11-3-1-2-4-16(11)22-17/h5-8,13,18,22,24H,1-4,9-10H2
InChIKeyWUPKOMDOUOQCLM-UHFFFAOYSA-N
XLogP3.12
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129352246
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 129491852
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 128990111
5-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 129352473
3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 128963778
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346048
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346049
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346047
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 128990290

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone (CID 128560592) is [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone is O=C(c1cc2c([nH]1)CCCC2)N1CC(O)CC1c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
The InChIKey is WUPKOMDOUOQCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-14-6-5-12(7-15(14)21)18-9-13(24)10-23(18)19(25)17-8-11-3-1-2-4-16(11)22-17/h5-8,13,18,22,24H,1-4,9-10H2.
What are the key properties of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone has a molecular weight of 346.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone is sourced from PubChem (CID 128560592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).