N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide

C14H12FN3O — CID 16953454

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide
SMILESO=C(Nc1ncnc2c1CCC2)c1cccc(F)c1
InChIInChI=1S/C14H12FN3O/c15-10-4-1-3-9(7-10)14(19)18-13-11-5-2-6-12(11)16-8-17-13/h1,3-4,7-8H,2,5-6H2,(H,16,17,18,19)
InChIKeyBSXORRCXBLZOEB-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.36
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide (PubChem CID 16953454) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide
PubChem CID16953454
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide
SMILESO=C(Nc1ncnc2c1CCC2)c1cccc(F)c1
InChIInChI=1S/C14H12FN3O/c15-10-4-1-3-9(7-10)14(19)18-13-11-5-2-6-12(11)16-8-17-13/h1,3-4,7-8H,2,5-6H2,(H,16,17,18,19)
InChIKeyBSXORRCXBLZOEB-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide (CID 16953454) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide is O=C(Nc1ncnc2c1CCC2)c1cccc(F)c1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide?
The InChIKey is BSXORRCXBLZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-10-4-1-3-9(7-10)14(19)18-13-11-5-2-6-12(11)16-8-17-13/h1,3-4,7-8H,2,5-6H2,(H,16,17,18,19).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide has a molecular weight of 257.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluorobenzamide is sourced from PubChem (CID 16953454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).