(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide

C14H18F2N2O2 — CID 99852420

IUPAC(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)[C@H](C)c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O2/c1-8(13-9(15)4-3-5-10(13)16)14(19)18-11-6-17-7-12(11)20-2/h3-5,8,11-12,17H,6-7H2,1-2H3,(H,18,19)/t8-,11+,12+/m1/s1
InChIKeyCXGNCIGNRVUNIA-ZHAHWJHGSA-N
MW284.31 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide

(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide (PubChem CID 99852420) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide
PubChem CID99852420
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)[C@H](C)c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O2/c1-8(13-9(15)4-3-5-10(13)16)14(19)18-11-6-17-7-12(11)20-2/h3-5,8,11-12,17H,6-7H2,1-2H3,(H,18,19)/t8-,11+,12+/m1/s1
InChIKeyCXGNCIGNRVUNIA-ZHAHWJHGSA-N
XLogP1.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide?
The IUPAC name of (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide (CID 99852420) is (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide is CO[C@H]1CNC[C@@H]1NC(=O)[C@H](C)c1c(F)cccc1F.
What is the InChIKey of (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide?
The InChIKey is CXGNCIGNRVUNIA-ZHAHWJHGSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-8(13-9(15)4-3-5-10(13)16)14(19)18-11-6-17-7-12(11)20-2/h3-5,8,11-12,17H,6-7H2,1-2H3,(H,18,19)/t8-,11+,12+/m1/s1.
What are the key properties of (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide?
(2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide has a molecular weight of 284.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-difluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]propanamide is sourced from PubChem (CID 99852420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).