N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane

C23H25F2N3O5 — CID 145166354

IUPACN-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane
SMILESCOC.Cc1c(F)ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CC=CCC2C3)c1F
InChIInChI=1S/C21H19F2N3O4.C2H6O/c1-11-15(22)6-5-12(16(11)23)8-24-20(29)14-10-25-9-13-4-2-3-7-26(13)21(30)17(25)19(28)18(14)27;1-3-2/h2-3,5-6,10,13,28H,4,7-9H2,1H3,(H,24,29);1-2H3
InChIKeyOVHNCXZYCXLHRJ-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.12
Rot. Bonds3

About N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane

N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane (PubChem CID 145166354) has the molecular formula C23H25F2N3O5 and a molecular weight of 461.47 g/mol. Its IUPAC name is N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane.

Molecular Properties

Compound NameN-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane
PubChem CID145166354
Molecular FormulaC23H25F2N3O5
Molecular Weight461.47 g/mol
Exact Mass461.18
IUPAC NameN-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane
SMILESCOC.Cc1c(F)ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CC=CCC2C3)c1F
InChIInChI=1S/C21H19F2N3O4.C2H6O/c1-11-15(22)6-5-12(16(11)23)8-24-20(29)14-10-25-9-13-4-2-3-7-26(13)21(30)17(25)19(28)18(14)27;1-3-2/h2-3,5-6,10,13,28H,4,7-9H2,1H3,(H,24,29);1-2H3
InChIKeyOVHNCXZYCXLHRJ-UHFFFAOYSA-N
XLogP2.12
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane 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

2-[(Z)-but-2-enyl]-N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 155699806
N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 118183443
(1S,11R,12R)-N-[(2-fluoro-3-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
CID 90312359
(1S,11R,12R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
CID 90311709
(10R,11S)-N-[(4-chloro-2-fluorophenyl)methyl]-4-hydroxy-11-methyl-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 130333856
(2S,6R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-7-ethyl-10-hydroxy-8,11-dioxo-5-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 121422031
N-[(4-chloro-2-fluorophenyl)methyl]-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 146357717
N-[(3-chloro-2,4-difluorophenyl)methyl]-4-hydroxy-2',3'-dimethyl-2,5-dioxospiro[12-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-11,1'-cyclopropane]-6-carboxamide
CID 138527515
(10R)-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2,5-dioxo-1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,6-diene-6-carboxamide
CID 130237708
(3S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 66596574
(5S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-5-phenyl-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 66596615
(9R,11R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-4-hydroxy-9-(methoxymethyl)-11-methyl-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 122597309

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane?
The IUPAC name of N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane (CID 145166354) is N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane.
What is the SMILES notation for N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane?
The canonical SMILES for N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane is COC.Cc1c(F)ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CC=CCC2C3)c1F.
What is the InChIKey of N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane?
The InChIKey is OVHNCXZYCXLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4.C2H6O/c1-11-15(22)6-5-12(16(11)23)8-24-20(29)14-10-25-9-13-4-2-3-7-26(13)21(30)17(25)19(28)18(14)27;1-3-2/h2-3,5-6,10,13,28H,4,7-9H2,1H3,(H,24,29);1-2H3.
What are the key properties of N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane?
N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane has a molecular weight of 461.47 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane is sourced from PubChem (CID 145166354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).