3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C15H14F2N4O — CID 53164633

IUPAC3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N4O/c16-12-4-3-10(7-13(12)17)14(22)20-11-8-18-15(19-9-11)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6H2,(H,20,22)
InChIKeyGFRAFPMEYLIFBN-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.61
Rot. Bonds3

About 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53164633) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53164633
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N4O/c16-12-4-3-10(7-13(12)17)14(22)20-11-8-18-15(19-9-11)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6H2,(H,20,22)
InChIKeyGFRAFPMEYLIFBN-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
CID 122298622
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53164633) is 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(N2CCCC2)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is GFRAFPMEYLIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-12-4-3-10(7-13(12)17)14(22)20-11-8-18-15(19-9-11)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6H2,(H,20,22).
What are the key properties of 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53164633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).