N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide

C17H15F3N4O — CID 130335347

IUPACN-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1
InChIInChI=1S/C17H15F3N4O/c1-21-16(25)11-4-2-3-10(5-11)8-22-14-6-12(17(18,19)20)7-15-13(14)9-23-24-15/h2-7,9,22H,8H2,1H3,(H,21,25)(H,23,24)
InChIKeySJARQQHPXKPULK-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.55
Rot. Bonds4

About N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide

N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide (PubChem CID 130335347) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide
PubChem CID130335347
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1
InChIInChI=1S/C17H15F3N4O/c1-21-16(25)11-4-2-3-10(5-11)8-22-14-6-12(17(18,19)20)7-15-13(14)9-23-24-15/h2-7,9,22H,8H2,1H3,(H,21,25)(H,23,24)
InChIKeySJARQQHPXKPULK-UHFFFAOYSA-N
XLogP3.55
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide (CID 130335347) is N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide is CNC(=O)c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1.
What is the InChIKey of N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide?
The InChIKey is SJARQQHPXKPULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-21-16(25)11-4-2-3-10(5-11)8-22-14-6-12(17(18,19)20)7-15-13(14)9-23-24-15/h2-7,9,22H,8H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide?
N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide has a molecular weight of 348.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 130335347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).