N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

C25H20F3N3O4 — CID 18832367

IUPACN-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)c(OC)c1
InChIInChI=1S/C25H20F3N3O4/c1-33-16-7-9-19(21(13-16)34-2)29-24(32)14-3-5-15(6-4-14)31-22-17-11-12-35-20(17)10-8-18(22)23(30-31)25(26,27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,29,32)
InChIKeyKHSKJSUJLSQWCU-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.52
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (PubChem CID 18832367) has the molecular formula C25H20F3N3O4 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
PubChem CID18832367
Molecular FormulaC25H20F3N3O4
Molecular Weight483.45 g/mol
Exact Mass483.14
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)c(OC)c1
InChIInChI=1S/C25H20F3N3O4/c1-33-16-7-9-19(21(13-16)34-2)29-24(32)14-3-5-15(6-4-14)31-22-17-11-12-35-20(17)10-8-18(22)23(30-31)25(26,27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,29,32)
InChIKeyKHSKJSUJLSQWCU-UHFFFAOYSA-N
XLogP5.52
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide with MolForge

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
CID 18832435
N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
CID 18832320
N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide
CID 18832369
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
CID 55604797
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24593066
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-(2,4-dimethoxyphenyl)-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
CID 3866755
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (CID 18832367) is N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is COc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The InChIKey is KHSKJSUJLSQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4/c1-33-16-7-9-19(21(13-16)34-2)29-24(32)14-3-5-15(6-4-14)31-22-17-11-12-35-20(17)10-8-18(22)23(30-31)25(26,27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,29,32).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide has a molecular weight of 483.45 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is sourced from PubChem (CID 18832367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).