3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide

C18H18F2N2O — CID 110414263

IUPAC3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C18H18F2N2O/c19-15-4-6-17(7-5-15)22-9-8-13(12-22)11-21-18(23)14-2-1-3-16(20)10-14/h1-7,10,13H,8-9,11-12H2,(H,21,23)
InChIKeyQMSDUUUTXQQZDU-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.22
Rot. Bonds4

About 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide

3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 110414263) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID110414263
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C18H18F2N2O/c19-15-4-6-17(7-5-15)22-9-8-13(12-22)11-21-18(23)14-2-1-3-16(20)10-14/h1-7,10,13H,8-9,11-12H2,(H,21,23)
InChIKeyQMSDUUUTXQQZDU-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
N-[3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]propyl]-3-fluorobenzamide
CID 86937278
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
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
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497
5-fluoro-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-benzothiophene-2-carboxamide
CID 97012170
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95149559
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-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide (CID 110414263) is 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide is O=C(NCC1CCN(c2ccc(F)cc2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is QMSDUUUTXQQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-15-4-6-17(7-5-15)22-9-8-13(12-22)11-21-18(23)14-2-1-3-16(20)10-14/h1-7,10,13H,8-9,11-12H2,(H,21,23).
What are the key properties of 3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 316.35 g/mol, XLogP of 3.22, 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-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 110414263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).