3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

C18H19FN2O — CID 42957565

IUPAC3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O/c19-16-6-4-5-15(11-16)18(22)20-12-14-9-10-21(13-14)17-7-2-1-3-8-17/h1-8,11,14H,9-10,12-13H2,(H,20,22)
InChIKeyZTVIQOSVHQYOTR-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.08
Rot. Bonds4

About 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 42957565) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID42957565
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O/c19-16-6-4-5-15(11-16)18(22)20-12-14-9-10-21(13-14)17-7-2-1-3-8-17/h1-8,11,14H,9-10,12-13H2,(H,20,22)
InChIKeyZTVIQOSVHQYOTR-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-[3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]propyl]-3-fluorobenzamide
CID 86937278
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55652238
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
5-fluoro-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 55996331
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 43071255
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 42957565) is 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CCN(c2ccccc2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is ZTVIQOSVHQYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-6-4-5-15(11-16)18(22)20-12-14-9-10-21(13-14)17-7-2-1-3-8-17/h1-8,11,14H,9-10,12-13H2,(H,20,22).
What are the key properties of 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 298.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 42957565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).