5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide

C21H18F5N3O2 — CID 170442307

IUPAC5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCC1=C(NC(=O)c2cc(F)c(-c3cnc(C)cn3)cc2OCC(F)(F)F)C(F)=CCC1
InChIInChI=1S/C21H18F5N3O2/c1-11-4-3-5-15(22)19(11)29-20(30)14-6-16(23)13(17-9-27-12(2)8-28-17)7-18(14)31-10-21(24,25)26/h5-9H,3-4,10H2,1-2H3,(H,29,30)
InChIKeyGVOWFTTUZFMDIM-UHFFFAOYSA-N
MW439.38 g/mol
LogP5.18
Rot. Bonds5

About 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide

5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 170442307) has the molecular formula C21H18F5N3O2 and a molecular weight of 439.38 g/mol. Its IUPAC name is 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID170442307
Molecular FormulaC21H18F5N3O2
Molecular Weight439.38 g/mol
Exact Mass439.13
IUPAC Name5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCC1=C(NC(=O)c2cc(F)c(-c3cnc(C)cn3)cc2OCC(F)(F)F)C(F)=CCC1
InChIInChI=1S/C21H18F5N3O2/c1-11-4-3-5-15(22)19(11)29-20(30)14-6-16(23)13(17-9-27-12(2)8-28-17)7-18(14)31-10-21(24,25)26/h5-9H,3-4,10H2,1-2H3,(H,29,30)
InChIKeyGVOWFTTUZFMDIM-UHFFFAOYSA-N
XLogP5.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide 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-(2-chloro-6-fluorocyclohexa-1,5-dien-1-yl)-5-fluoro-4-[5-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 170445135
5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(6-methyl-3-oxo-4-propylpyrazin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 170446513
4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 156722381
3-chloro-6-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
CID 156722580
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-4-(5-cyclopropylpyrazin-2-yl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 171574226
N-(2,6-difluorophenyl)-4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470197
4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470036
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
4-(3,4-diethyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,6-difluorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470397
5-fluoro-N-(5-fluoro-2-methylphenyl)-4-[[(Z)-(4-formylmorpholin-3-ylidene)amino]-methylamino]-2-(2,2,2-trifluoroethoxy)benzamide
CID 134474422
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238
4-(4-cyclopropyl-3-ethyl-5-oxo-1,2,4-triazol-1-yl)-5-fluoro-N-(2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 134469802

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide (CID 170442307) is 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide is CC1=C(NC(=O)c2cc(F)c(-c3cnc(C)cn3)cc2OCC(F)(F)F)C(F)=CCC1.
What is the InChIKey of 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is GVOWFTTUZFMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N3O2/c1-11-4-3-5-15(22)19(11)29-20(30)14-6-16(23)13(17-9-27-12(2)8-28-17)7-18(14)31-10-21(24,25)26/h5-9H,3-4,10H2,1-2H3,(H,29,30).
What are the key properties of 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide?
5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 439.38 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-4-(5-methylpyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 170442307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).