3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C15H15FN4O — CID 53014754

IUPAC3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN4O/c16-12-5-3-4-11(8-12)14(21)19-13-9-17-15(18-10-13)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2,(H,19,21)
InChIKeyRJAIEGOGCJZSGO-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.47
Rot. Bonds3

About 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53014754) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53014754
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN4O/c16-12-5-3-4-11(8-12)14(21)19-13-9-17-15(18-10-13)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2,(H,19,21)
InChIKeyRJAIEGOGCJZSGO-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-nitro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298793
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53014754) is 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is RJAIEGOGCJZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-12-5-3-4-11(8-12)14(21)19-13-9-17-15(18-10-13)20-6-1-2-7-20/h3-5,8-10H,1-2,6-7H2,(H,19,21).
What are the key properties of 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53014754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).