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

C26H25F3N4O2 — CID 24769095

IUPACN-ethyl-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)c1ccccc1
InChIInChI=1S/C26H25F3N4O2/c1-2-32(24(34)19-10-5-3-6-11-19)18-25(35,26(27,28)29)17-30-22-14-9-15-23-21(22)16-31-33(23)20-12-7-4-8-13-20/h3-16,30,35H,2,17-18H2,1H3
InChIKeyYRXOESVQAVZMRR-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.89
Rot. Bonds8

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

N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide (PubChem CID 24769095) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
PubChem CID24769095
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC NameN-ethyl-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)c1ccccc1
InChIInChI=1S/C26H25F3N4O2/c1-2-32(24(34)19-10-5-3-6-11-19)18-25(35,26(27,28)29)17-30-22-14-9-15-23-21(22)16-31-33(23)20-12-7-4-8-13-20/h3-16,30,35H,2,17-18H2,1H3
InChIKeyYRXOESVQAVZMRR-UHFFFAOYSA-N
XLogP4.89
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
The IUPAC name of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide (CID 24769095) is N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide.
What is the SMILES notation for N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
The canonical SMILES for N-ethyl-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)c1ccccc1.
What is the InChIKey of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
The InChIKey is YRXOESVQAVZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-2-32(24(34)19-10-5-3-6-11-19)18-25(35,26(27,28)29)17-30-22-14-9-15-23-21(22)16-31-33(23)20-12-7-4-8-13-20/h3-16,30,35H,2,17-18H2,1H3.
What are the key properties of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide?
N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide has a molecular weight of 482.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide is sourced from PubChem (CID 24769095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).