4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide

C22H22FNO3 — CID 121265947

IUPAC4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCO3
InChIInChI=1S/C22H22FNO3/c1-24-22(25)20-19-16-6-4-2-3-5-13-26-17(16)11-12-18(19)27-21(20)14-7-9-15(23)10-8-14/h7-12H,2-6,13H2,1H3,(H,24,25)
InChIKeyXJTNGUJDVCKDAL-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.09
Rot. Bonds2

About 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide

4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide (PubChem CID 121265947) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide
PubChem CID121265947
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCO3
InChIInChI=1S/C22H22FNO3/c1-24-22(25)20-19-16-6-4-2-3-5-13-26-17(16)11-12-18(19)27-21(20)14-7-9-15(23)10-8-14/h7-12H,2-6,13H2,1H3,(H,24,25)
InChIKeyXJTNGUJDVCKDAL-UHFFFAOYSA-N
XLogP5.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide (CID 121265947) is 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCO3.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide?
The InChIKey is XJTNGUJDVCKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-24-22(25)20-19-16-6-4-2-3-5-13-26-17(16)11-12-18(19)27-21(20)14-7-9-15(23)10-8-14/h7-12H,2-6,13H2,1H3,(H,24,25).
What are the key properties of 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide?
4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide is sourced from PubChem (CID 121265947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).