(2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone

C19H21FN2O — CID 138045887

IUPAC(2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone
SMILESCC1(c2cccc(F)c2)CCN(C(=O)[C@H](N)c2ccccc2)C1
InChIInChI=1S/C19H21FN2O/c1-19(15-8-5-9-16(20)12-15)10-11-22(13-19)18(23)17(21)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,21H2,1H3/t17-,19?/m1/s1
InChIKeyBCVMUZMBXLCESG-DUSLRRAJSA-N
MW312.39 g/mol
LogP3.02
Rot. Bonds3

About (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone

(2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone (PubChem CID 138045887) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone
PubChem CID138045887
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone
SMILESCC1(c2cccc(F)c2)CCN(C(=O)[C@H](N)c2ccccc2)C1
InChIInChI=1S/C19H21FN2O/c1-19(15-8-5-9-16(20)12-15)10-11-22(13-19)18(23)17(21)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,21H2,1H3/t17-,19?/m1/s1
InChIKeyBCVMUZMBXLCESG-DUSLRRAJSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone (CID 138045887) is (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone is CC1(c2cccc(F)c2)CCN(C(=O)[C@H](N)c2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is BCVMUZMBXLCESG-DUSLRRAJSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-19(15-8-5-9-16(20)12-15)10-11-22(13-19)18(23)17(21)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,21H2,1H3/t17-,19?/m1/s1.
What are the key properties of (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone?
(2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 312.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 138045887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).