4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide

C12H7FN4O — CID 71198890

IUPAC4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2cncnc2)cc1F
InChIInChI=1S/C12H7FN4O/c13-11-3-8(1-2-9(11)4-14)12(18)17-10-5-15-7-16-6-10/h1-3,5-7H,(H,17,18)
InChIKeyYKRWEPUAXMLWCG-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.74
Rot. Bonds2

About 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide

4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide (PubChem CID 71198890) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide
PubChem CID71198890
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC Name4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2cncnc2)cc1F
InChIInChI=1S/C12H7FN4O/c13-11-3-8(1-2-9(11)4-14)12(18)17-10-5-15-7-16-6-10/h1-3,5-7H,(H,17,18)
InChIKeyYKRWEPUAXMLWCG-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide 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

6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-pyrimidin-5-ylbenzamide
CID 68971843
4-cyano-3-fluoro-N-propylbenzamide
CID 91191816
3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
CID 107590008
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
2-oxo-N-pyrimidin-5-yl-1H-pyridine-4-carboxamide
CID 104862699
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide (CID 71198890) is 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide is N#Cc1ccc(C(=O)Nc2cncnc2)cc1F.
What is the InChIKey of 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide?
The InChIKey is YKRWEPUAXMLWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-11-3-8(1-2-9(11)4-14)12(18)17-10-5-15-7-16-6-10/h1-3,5-7H,(H,17,18).
What are the key properties of 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide?
4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide has a molecular weight of 242.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 71198890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).