4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide

C18H12FN3O2 — CID 2739899

IUPAC4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2ncc3c(n2)-c2cc(F)ccc2OC3)cc1
InChIInChI=1S/C18H12FN3O2/c19-13-5-6-15-14(7-13)16-12(9-24-15)8-21-18(22-16)11-3-1-10(2-4-11)17(20)23/h1-8H,9H2,(H2,20,23)
InChIKeyONXAKPWRZXUQCP-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.94
Rot. Bonds2

About 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide

4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide (PubChem CID 2739899) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide
PubChem CID2739899
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2ncc3c(n2)-c2cc(F)ccc2OC3)cc1
InChIInChI=1S/C18H12FN3O2/c19-13-5-6-15-14(7-13)16-12(9-24-15)8-21-18(22-16)11-3-1-10(2-4-11)17(20)23/h1-8H,9H2,(H2,20,23)
InChIKeyONXAKPWRZXUQCP-UHFFFAOYSA-N
XLogP2.94
TPSA78.10 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide (CID 2739899) is 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide is NC(=O)c1ccc(-c2ncc3c(n2)-c2cc(F)ccc2OC3)cc1.
What is the InChIKey of 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
The InChIKey is ONXAKPWRZXUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-13-5-6-15-14(7-13)16-12(9-24-15)8-21-18(22-16)11-3-1-10(2-4-11)17(20)23/h1-8H,9H2,(H2,20,23).
What are the key properties of 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide?
4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide has a molecular weight of 321.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-fluoro-5H-chromeno[4,3-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 2739899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).