3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide

C16H22FN3O — CID 62274944

IUPAC3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC2C2CCCN2)c(F)c1
InChIInChI=1S/C16H22FN3O/c17-13-9-11(16(18)21)5-6-12(13)10-20-8-2-4-15(20)14-3-1-7-19-14/h5-6,9,14-15,19H,1-4,7-8,10H2,(H2,18,21)
InChIKeyUZSNESOBYQULGB-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.64
Rot. Bonds4

About 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide

3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide (PubChem CID 62274944) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
PubChem CID62274944
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC2C2CCCN2)c(F)c1
InChIInChI=1S/C16H22FN3O/c17-13-9-11(16(18)21)5-6-12(13)10-20-8-2-4-15(20)14-3-1-7-19-14/h5-6,9,14-15,19H,1-4,7-8,10H2,(H2,18,21)
InChIKeyUZSNESOBYQULGB-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
methyl 4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzoate
CID 62274393
1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 107350255
1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 66157263
3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide (CID 62274944) is 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCCC2C2CCCN2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide?
The InChIKey is UZSNESOBYQULGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-13-9-11(16(18)21)5-6-12(13)10-20-8-2-4-15(20)14-3-1-7-19-14/h5-6,9,14-15,19H,1-4,7-8,10H2,(H2,18,21).
What are the key properties of 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide?
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide has a molecular weight of 291.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 62274944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).