2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide

C19H19F2N3O2 — CID 86920465

IUPAC2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC1c1ccncc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2N3O2/c20-14-3-4-15(16(21)12-14)19(26)23-10-7-18(25)24-11-1-2-17(24)13-5-8-22-9-6-13/h3-6,8-9,12,17H,1-2,7,10-11H2,(H,23,26)
InChIKeyNZDJXNOWBYVEKI-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.84
Rot. Bonds5

About 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide

2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide (PubChem CID 86920465) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide
PubChem CID86920465
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC1c1ccncc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2N3O2/c20-14-3-4-15(16(21)12-14)19(26)23-10-7-18(25)24-11-1-2-17(24)13-5-8-22-9-6-13/h3-6,8-9,12,17H,1-2,7,10-11H2,(H,23,26)
InChIKeyNZDJXNOWBYVEKI-UHFFFAOYSA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide 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

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 51192558
2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide
CID 51192387
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
CID 94336529
2,4-difluoro-N-[4-oxo-4-(2-pyridin-3-ylpiperazin-1-yl)butyl]benzamide
CID 120732163
3-(4-bromo-2-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-one
CID 51127731
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60727625
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94801020
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide (CID 86920465) is 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide is O=C(NCCC(=O)N1CCCC1c1ccncc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide?
The InChIKey is NZDJXNOWBYVEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-14-3-4-15(16(21)12-14)19(26)23-10-7-18(25)24-11-1-2-17(24)13-5-8-22-9-6-13/h3-6,8-9,12,17H,1-2,7,10-11H2,(H,23,26).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide has a molecular weight of 359.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 86920465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).