N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

C24H27F4N5O4 — CID 162646755

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C24H27F4N5O4/c1-32(13-24(26,27)28)17(34)11-30-23-8-6-15(7-9-23)12-33-21(37)19(35)18(31-22(23)33)20(36)29-10-14-2-4-16(25)5-3-14/h2-5,15,30,35H,6-13H2,1H3,(H,29,36)
InChIKeyCFOWGAYIRVGPNM-UHFFFAOYSA-N
MW525.50 g/mol
LogP2.03
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 162646755) has the molecular formula C24H27F4N5O4 and a molecular weight of 525.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID162646755
Molecular FormulaC24H27F4N5O4
Molecular Weight525.50 g/mol
Exact Mass525.20
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C24H27F4N5O4/c1-32(13-24(26,27)28)17(34)11-30-23-8-6-15(7-9-23)12-33-21(37)19(35)18(31-22(23)33)20(36)29-10-14-2-4-16(25)5-3-14/h2-5,15,30,35H,6-13H2,1H3,(H,29,36)
InChIKeyCFOWGAYIRVGPNM-UHFFFAOYSA-N
XLogP2.03
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.50
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 162646755) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is CN(CC(F)(F)F)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is CFOWGAYIRVGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N5O4/c1-32(13-24(26,27)28)17(34)11-30-23-8-6-15(7-9-23)12-33-21(37)19(35)18(31-22(23)33)20(36)29-10-14-2-4-16(25)5-3-14/h2-5,15,30,35H,6-13H2,1H3,(H,29,36).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 525.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 162646755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).