N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide

C34H32FN3O4 — CID 71545361

IUPACN-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccccc1
InChIInChI=1S/C34H32FN3O4/c35-31-13-10-27(21-32(31)37-34(40)24-4-2-1-3-5-24)36-26-9-12-29-25(20-26)7-6-23-8-11-28(22-30(23)33(29)39)42-19-16-38-14-17-41-18-15-38/h1-5,8-13,20-22,36H,6-7,14-19H2,(H,37,40)
InChIKeyMRINYURMSXQULP-UHFFFAOYSA-N
MW565.65 g/mol
LogP5.86
Rot. Bonds8

About N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide

N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide (PubChem CID 71545361) has the molecular formula C34H32FN3O4 and a molecular weight of 565.65 g/mol. Its IUPAC name is N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide
PubChem CID71545361
Molecular FormulaC34H32FN3O4
Molecular Weight565.65 g/mol
Exact Mass565.24
IUPAC NameN-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccccc1
InChIInChI=1S/C34H32FN3O4/c35-31-13-10-27(21-32(31)37-34(40)24-4-2-1-3-5-24)36-26-9-12-29-25(20-26)7-6-23-8-11-28(22-30(23)33(29)39)42-19-16-38-14-17-41-18-15-38/h1-5,8-13,20-22,36H,6-7,14-19H2,(H,37,40)
InChIKeyMRINYURMSXQULP-UHFFFAOYSA-N
XLogP5.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide (CID 71545361) is N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide is O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccccc1.
What is the InChIKey of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide?
The InChIKey is MRINYURMSXQULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O4/c35-31-13-10-27(21-32(31)37-34(40)24-4-2-1-3-5-24)36-26-9-12-29-25(20-26)7-6-23-8-11-28(22-30(23)33(29)39)42-19-16-38-14-17-41-18-15-38/h1-5,8-13,20-22,36H,6-7,14-19H2,(H,37,40).
What are the key properties of N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide?
N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide has a molecular weight of 565.65 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[14-(2-morpholin-4-ylethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide is sourced from PubChem (CID 71545361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).