N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide

C24H25F2N3O3 — CID 142184723

IUPACN-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide
SMILESCOc1cccc2c1CCN1C(=O)C3CCC(C(=O)Nc4ccc(F)cc4F)N3C(C)C21
InChIInChI=1S/C24H25F2N3O3/c1-13-22-16-4-3-5-21(32-2)15(16)10-11-28(22)24(31)20-9-8-19(29(13)20)23(30)27-18-7-6-14(25)12-17(18)26/h3-7,12-13,19-20,22H,8-11H2,1-2H3,(H,27,30)
InChIKeyJUWHSISLAHPUBD-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.27
Rot. Bonds3

About N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide

N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide (PubChem CID 142184723) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide
PubChem CID142184723
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide
SMILESCOc1cccc2c1CCN1C(=O)C3CCC(C(=O)Nc4ccc(F)cc4F)N3C(C)C21
InChIInChI=1S/C24H25F2N3O3/c1-13-22-16-4-3-5-21(32-2)15(16)10-11-28(22)24(31)20-9-8-19(29(13)20)23(30)27-18-7-6-14(25)12-17(18)26/h3-7,12-13,19-20,22H,8-11H2,1-2H3,(H,27,30)
InChIKeyJUWHSISLAHPUBD-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide
CID 10292630
(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991057
N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
CID 14460008
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
(2S)-N-(4-bromo-2-fluorophenyl)-1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-oxopyrrolidine-2-carboxamide
CID 40911157
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide (CID 142184723) is N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide is COc1cccc2c1CCN1C(=O)C3CCC(C(=O)Nc4ccc(F)cc4F)N3C(C)C21.
What is the InChIKey of N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide?
The InChIKey is JUWHSISLAHPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-13-22-16-4-3-5-21(32-2)15(16)10-11-28(22)24(31)20-9-8-19(29(13)20)23(30)27-18-7-6-14(25)12-17(18)26/h3-7,12-13,19-20,22H,8-11H2,1-2H3,(H,27,30).
What are the key properties of N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide?
N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide is sourced from PubChem (CID 142184723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).