3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide

C19H18F2N2O3 — CID 166384043

IUPAC3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C19H18F2N2O3/c20-14-5-1-3-12(7-14)18(25)22-10-16-9-17(24)11-23(16)19(26)13-4-2-6-15(21)8-13/h1-8,16-17,24H,9-11H2,(H,22,25)/t16-,17-/m1/s1
InChIKeyLFMYKKWJVBQPRY-IAGOWNOFSA-N
MW360.36 g/mol
LogP1.97
Rot. Bonds4

About 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide

3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide (PubChem CID 166384043) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide
PubChem CID166384043
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C19H18F2N2O3/c20-14-5-1-3-12(7-14)18(25)22-10-16-9-17(24)11-23(16)19(26)13-4-2-6-15(21)8-13/h1-8,16-17,24H,9-11H2,(H,22,25)/t16-,17-/m1/s1
InChIKeyLFMYKKWJVBQPRY-IAGOWNOFSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide 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 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide (CID 166384043) is 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide is O=C(NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide?
The InChIKey is LFMYKKWJVBQPRY-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c20-14-5-1-3-12(7-14)18(25)22-10-16-9-17(24)11-23(16)19(26)13-4-2-6-15(21)8-13/h1-8,16-17,24H,9-11H2,(H,22,25)/t16-,17-/m1/s1.
What are the key properties of 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide?
3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide has a molecular weight of 360.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 166384043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).