3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide

C12H15FN2O — CID 60805996

IUPAC3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1cccc(F)c1)C1CCNC1
InChIInChI=1S/C12H15FN2O/c1-15(11-5-6-14-8-11)12(16)9-3-2-4-10(13)7-9/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyIULIQMWPHLXJRI-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.26
Rot. Bonds2

About 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide

3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 60805996) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID60805996
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1cccc(F)c1)C1CCNC1
InChIInChI=1S/C12H15FN2O/c1-15(11-5-6-14-8-11)12(16)9-3-2-4-10(13)7-9/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyIULIQMWPHLXJRI-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
CID 119551937
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200
2-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide
CID 119550385
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 60805996) is 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1cccc(F)c1)C1CCNC1.
What is the InChIKey of 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is IULIQMWPHLXJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15(11-5-6-14-8-11)12(16)9-3-2-4-10(13)7-9/h2-4,7,11,14H,5-6,8H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide?
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 222.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60805996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).