2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide

C20H21FN2O3 — CID 118778125

IUPAC2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCC(Oc2ccccc2)C1)c1ccccc1F
InChIInChI=1S/C20H21FN2O3/c21-18-9-5-4-8-17(18)20(25)22-12-10-19(24)23-13-11-16(14-23)26-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)
InChIKeyRGYLYVJXOYSLFK-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.63
Rot. Bonds6

About 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide

2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide (PubChem CID 118778125) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide
PubChem CID118778125
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCC(Oc2ccccc2)C1)c1ccccc1F
InChIInChI=1S/C20H21FN2O3/c21-18-9-5-4-8-17(18)20(25)22-12-10-19(24)23-13-11-16(14-23)26-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)
InChIKeyRGYLYVJXOYSLFK-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one
CID 156714630
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2-fluoro-N-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 103901184
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
1-[3-(4-benzylphenoxy)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 142479915
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 86971742
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 109427883

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide (CID 118778125) is 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide is O=C(NCCC(=O)N1CCC(Oc2ccccc2)C1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide?
The InChIKey is RGYLYVJXOYSLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-18-9-5-4-8-17(18)20(25)22-12-10-19(24)23-13-11-16(14-23)26-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25).
What are the key properties of 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide?
2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 118778125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).