N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

C20H16FN3O2 — CID 2963471

IUPACN-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESO=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c21-13-7-9-14(10-8-13)22-18(25)11-17-20(26)24-16-6-2-4-12-3-1-5-15(23-17)19(12)16/h1-10,17,23H,11H2,(H,22,25)(H,24,26)
InChIKeyMSZPPSBUTQLNNA-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.74
Rot. Bonds3

About N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (PubChem CID 2963471) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
PubChem CID2963471
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESO=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c21-13-7-9-14(10-8-13)22-18(25)11-17-20(26)24-16-6-2-4-12-3-1-5-15(23-17)19(12)16/h1-10,17,23H,11H2,(H,22,25)(H,24,26)
InChIKeyMSZPPSBUTQLNNA-UHFFFAOYSA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (CID 2963471) is N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is O=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The InChIKey is MSZPPSBUTQLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-13-7-9-14(10-8-13)22-18(25)11-17-20(26)24-16-6-2-4-12-3-1-5-15(23-17)19(12)16/h1-10,17,23H,11H2,(H,22,25)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide has a molecular weight of 349.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is sourced from PubChem (CID 2963471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).