N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide

C18H12FN3O2 — CID 3723579

IUPACN-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23)
InChIKeyWQHQAQVHEREJDF-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.43
Rot. Bonds2

About N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide

N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide (PubChem CID 3723579) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide
PubChem CID3723579
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC NameN-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23)
InChIKeyWQHQAQVHEREJDF-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide (CID 3723579) is N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide is O=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(F)cc1.
What is the InChIKey of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide?
The InChIKey is WQHQAQVHEREJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23).
What are the key properties of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide?
N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide has a molecular weight of 321.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 3723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).