3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide

C13H17FN2O — CID 63628909

IUPAC3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c14-12-3-1-2-11(8-12)13(17)16-7-5-10-4-6-15-9-10/h1-3,8,10,15H,4-7,9H2,(H,16,17)
InChIKeyBIFYMIGTRRILKD-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.56
Rot. Bonds4

About 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide

3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63628909) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63628909
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c14-12-3-1-2-11(8-12)13(17)16-7-5-10-4-6-15-9-10/h1-3,8,10,15H,4-7,9H2,(H,16,17)
InChIKeyBIFYMIGTRRILKD-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63628909) is 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide is O=C(NCCC1CCNC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is BIFYMIGTRRILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-3-1-2-11(8-12)13(17)16-7-5-10-4-6-15-9-10/h1-3,8,10,15H,4-7,9H2,(H,16,17).
What are the key properties of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 236.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63628909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).