4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide

C18H19F3N4O3 — CID 58267303

IUPAC4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C18H19F3N4O3/c1-28-14-7-6-10(17(22)27)8-12(14)23-15(26)9-25-13-5-3-2-4-11(13)16(24-25)18(19,20)21/h6-8H,2-5,9H2,1H3,(H2,22,27)(H,23,26)
InChIKeyFLPTVPQJJAWGIU-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.53
Rot. Bonds5

About 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide

4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide (PubChem CID 58267303) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide
PubChem CID58267303
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C18H19F3N4O3/c1-28-14-7-6-10(17(22)27)8-12(14)23-15(26)9-25-13-5-3-2-4-11(13)16(24-25)18(19,20)21/h6-8H,2-5,9H2,1H3,(H2,22,27)(H,23,26)
InChIKeyFLPTVPQJJAWGIU-UHFFFAOYSA-N
XLogP2.53
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide (CID 58267303) is 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide?
The InChIKey is FLPTVPQJJAWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-28-14-7-6-10(17(22)27)8-12(14)23-15(26)9-25-13-5-3-2-4-11(13)16(24-25)18(19,20)21/h6-8H,2-5,9H2,1H3,(H2,22,27)(H,23,26).
What are the key properties of 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide?
4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide has a molecular weight of 396.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 58267303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).