N-[2-fluoro-4-methyl-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]furan-3-carboxamide

C33H32FN3O5 — CID 71545524

IUPACN-[2-fluoro-4-methyl-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]furan-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccoc2)cc1Nc1ccc2c(c1)CCc1ccc(OCCN3CCOCC3)cc1C2=O
InChIInChI=1S/C33H32FN3O5/c1-21-16-29(34)31(36-33(39)24-8-12-41-20-24)19-30(21)35-25-5-7-27-23(17-25)3-2-22-4-6-26(18-28(22)32(27)38)42-15-11-37-9-13-40-14-10-37/h4-8,12,16-20,35H,2-3,9-11,13-15H2,1H3,(H,36,39)
InChIKeyOKAWVBPTOGVXNS-UHFFFAOYSA-N
MW569.63 g/mol
LogP5.76
Rot. Bonds8

About N-[2-fluoro-4-methyl-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]furan-3-carboxamide

N-[2-fluoro-4-methyl-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]furan-3-carboxamide (PubChem CID 71545524) has the molecular formula C33H32FN3O5 and a molecular weight of 569.63 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-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]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-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]furan-3-carboxamide
PubChem CID71545524
Molecular FormulaC33H32FN3O5
Molecular Weight569.63 g/mol
Exact Mass569.23
IUPAC NameN-[2-fluoro-4-methyl-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]furan-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccoc2)cc1Nc1ccc2c(c1)CCc1ccc(OCCN3CCOCC3)cc1C2=O
InChIInChI=1S/C33H32FN3O5/c1-21-16-29(34)31(36-33(39)24-8-12-41-20-24)19-30(21)35-25-5-7-27-23(17-25)3-2-22-4-6-26(18-28(22)32(27)38)42-15-11-37-9-13-40-14-10-37/h4-8,12,16-20,35H,2-3,9-11,13-15H2,1H3,(H,36,39)
InChIKeyOKAWVBPTOGVXNS-UHFFFAOYSA-N
XLogP5.76
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-4-methyl-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]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-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]furan-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-methyl-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]furan-3-carboxamide (CID 71545524) is N-[2-fluoro-4-methyl-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]furan-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-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]furan-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-methyl-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]furan-3-carboxamide is Cc1cc(F)c(NC(=O)c2ccoc2)cc1Nc1ccc2c(c1)CCc1ccc(OCCN3CCOCC3)cc1C2=O.
What is the InChIKey of N-[2-fluoro-4-methyl-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]furan-3-carboxamide?
The InChIKey is OKAWVBPTOGVXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O5/c1-21-16-29(34)31(36-33(39)24-8-12-41-20-24)19-30(21)35-25-5-7-27-23(17-25)3-2-22-4-6-26(18-28(22)32(27)38)42-15-11-37-9-13-40-14-10-37/h4-8,12,16-20,35H,2-3,9-11,13-15H2,1H3,(H,36,39).
What are the key properties of N-[2-fluoro-4-methyl-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]furan-3-carboxamide?
N-[2-fluoro-4-methyl-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]furan-3-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-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]furan-3-carboxamide is sourced from PubChem (CID 71545524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).