[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone

C20H23FN2O2 — CID 118740417

IUPAC[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c1-22(13-16-7-9-18(21)10-8-16)14-20(25)11-12-23(15-20)19(24)17-5-3-2-4-6-17/h2-10,25H,11-15H2,1H3
InChIKeyFOUULAWTVNFINA-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.53
Rot. Bonds5

About [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone (PubChem CID 118740417) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone
PubChem CID118740417
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c1-22(13-16-7-9-18(21)10-8-16)14-20(25)11-12-23(15-20)19(24)17-5-3-2-4-6-17/h2-10,25H,11-15H2,1H3
InChIKeyFOUULAWTVNFINA-UHFFFAOYSA-N
XLogP2.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone (CID 118740417) is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone is CN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
The InChIKey is FOUULAWTVNFINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22(13-16-7-9-18(21)10-8-16)14-20(25)11-12-23(15-20)19(24)17-5-3-2-4-6-17/h2-10,25H,11-15H2,1H3.
What are the key properties of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone has a molecular weight of 342.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 118740417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).