N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide

C26H24F4N4O2 — CID 45273670

IUPACN-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
SMILESCCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C26H24F4N4O2/c1-2-33(24(35)19-11-6-7-12-21(19)27)17-25(36,26(28,29)30)16-31-22-13-8-14-23-20(22)15-32-34(23)18-9-4-3-5-10-18/h3-15,31,36H,2,16-17H2,1H3
InChIKeyFEAJPHDPCSLTBK-UHFFFAOYSA-N
MW500.50 g/mol
LogP5.03
Rot. Bonds8

About N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide

N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide (PubChem CID 45273670) has the molecular formula C26H24F4N4O2 and a molecular weight of 500.50 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
PubChem CID45273670
Molecular FormulaC26H24F4N4O2
Molecular Weight500.50 g/mol
Exact Mass500.18
IUPAC NameN-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
SMILESCCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C26H24F4N4O2/c1-2-33(24(35)19-11-6-7-12-21(19)27)17-25(36,26(28,29)30)16-31-22-13-8-14-23-20(22)15-32-34(23)18-9-4-3-5-10-18/h3-15,31,36H,2,16-17H2,1H3
InChIKeyFEAJPHDPCSLTBK-UHFFFAOYSA-N
XLogP5.03
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide (CID 45273670) is N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide is CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
The InChIKey is FEAJPHDPCSLTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O2/c1-2-33(24(35)19-11-6-7-12-21(19)27)17-25(36,26(28,29)30)16-31-22-13-8-14-23-20(22)15-32-34(23)18-9-4-3-5-10-18/h3-15,31,36H,2,16-17H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide has a molecular weight of 500.50 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide is sourced from PubChem (CID 45273670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).