4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide

C18H18F2N2O2 — CID 128975885

IUPAC4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC(O)CC2c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c19-13-5-6-16(20)15(7-13)17-8-14(23)10-22(17)9-11-1-3-12(4-2-11)18(21)24/h1-7,14,17,23H,8-10H2,(H2,21,24)
InChIKeyFHMWARYDYOGOSZ-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.37
Rot. Bonds4

About 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide

4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide (PubChem CID 128975885) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
PubChem CID128975885
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC(O)CC2c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c19-13-5-6-16(20)15(7-13)17-8-14(23)10-22(17)9-11-1-3-12(4-2-11)18(21)24/h1-7,14,17,23H,8-10H2,(H2,21,24)
InChIKeyFHMWARYDYOGOSZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide (CID 128975885) is 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CC(O)CC2c2cc(F)ccc2F)cc1.
What is the InChIKey of 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide?
The InChIKey is FHMWARYDYOGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-13-5-6-16(20)15(7-13)17-8-14(23)10-22(17)9-11-1-3-12(4-2-11)18(21)24/h1-7,14,17,23H,8-10H2,(H2,21,24).
What are the key properties of 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide?
4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide has a molecular weight of 332.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 128975885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).