N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide

C17H16FN5O5 — CID 71463368

IUPACN-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide
SMILESO=C(Nc1ncnc2c1ncn2C1OC(O)C(O)C(F)C1O)c1ccccc1
InChIInChI=1S/C17H16FN5O5/c18-9-11(24)16(28-17(27)12(9)25)23-7-21-10-13(19-6-20-14(10)23)22-15(26)8-4-2-1-3-5-8/h1-7,9,11-12,16-17,24-25,27H,(H,19,20,22,26)
InChIKeyURBXHNSZZLMBOT-UHFFFAOYSA-N
MW389.34 g/mol
LogP-0.01
Rot. Bonds3

About N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide

N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide (PubChem CID 71463368) has the molecular formula C17H16FN5O5 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide.

Molecular Properties

Compound NameN-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide
PubChem CID71463368
Molecular FormulaC17H16FN5O5
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC NameN-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide
SMILESO=C(Nc1ncnc2c1ncn2C1OC(O)C(O)C(F)C1O)c1ccccc1
InChIInChI=1S/C17H16FN5O5/c18-9-11(24)16(28-17(27)12(9)25)23-7-21-10-13(19-6-20-14(10)23)22-15(26)8-4-2-1-3-5-8/h1-7,9,11-12,16-17,24-25,27H,(H,19,20,22,26)
InChIKeyURBXHNSZZLMBOT-UHFFFAOYSA-N
XLogP-0.01
TPSA142.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide?
The IUPAC name of N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide (CID 71463368) is N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide.
What is the SMILES notation for N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide?
The canonical SMILES for N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide is O=C(Nc1ncnc2c1ncn2C1OC(O)C(O)C(F)C1O)c1ccccc1.
What is the InChIKey of N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide?
The InChIKey is URBXHNSZZLMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O5/c18-9-11(24)16(28-17(27)12(9)25)23-7-21-10-13(19-6-20-14(10)23)22-15(26)8-4-2-1-3-5-8/h1-7,9,11-12,16-17,24-25,27H,(H,19,20,22,26).
What are the key properties of N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide?
N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide has a molecular weight of 389.34 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-fluoro-3,5,6-trihydroxyoxan-2-yl)purin-6-yl]benzamide is sourced from PubChem (CID 71463368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).