[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

C16H21FN2O — CID 124691859

IUPAC[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESC[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCNC2)C1
InChIInChI=1S/C16H21FN2O/c1-11-8-15(13-4-2-3-5-14(13)17)19(10-11)16(20)12-6-7-18-9-12/h2-5,11-12,15,18H,6-10H2,1H3/t11-,12-,15-/m1/s1
InChIKeyMYKRXBMBGXENBZ-LALPHHSUSA-N
MW276.35 g/mol
LogP2.34
Rot. Bonds2

About [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone

[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 124691859) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID124691859
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESC[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCNC2)C1
InChIInChI=1S/C16H21FN2O/c1-11-8-15(13-4-2-3-5-14(13)17)19(10-11)16(20)12-6-7-18-9-12/h2-5,11-12,15,18H,6-10H2,1H3/t11-,12-,15-/m1/s1
InChIKeyMYKRXBMBGXENBZ-LALPHHSUSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135127
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
CID 119793828
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 122148268
(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)piperazin-1-yl]methanone
CID 118016919
methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
CID 75507661
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 71870624
N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide
CID 71868535
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119793843
2-[3-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 120692117
2-(2-fluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 154805348

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone (CID 124691859) is [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCNC2)C1.
What is the InChIKey of [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is MYKRXBMBGXENBZ-LALPHHSUSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11-8-15(13-4-2-3-5-14(13)17)19(10-11)16(20)12-6-7-18-9-12/h2-5,11-12,15,18H,6-10H2,1H3/t11-,12-,15-/m1/s1.
What are the key properties of [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone?
[(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 276.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 124691859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).