N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide

C26H23F5N4O2 — CID 24937935

IUPACN-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
SMILESCCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3
InChIKeyWWQRKWSQLQHSQZ-UHFFFAOYSA-N
MW518.49 g/mol
LogP5.17
Rot. Bonds8

About N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide

N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide (PubChem CID 24937935) has the molecular formula C26H23F5N4O2 and a molecular weight of 518.49 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
PubChem CID24937935
Molecular FormulaC26H23F5N4O2
Molecular Weight518.49 g/mol
Exact Mass518.17
IUPAC NameN-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
SMILESCCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3
InChIKeyWWQRKWSQLQHSQZ-UHFFFAOYSA-N
XLogP5.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 55.17
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-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide (CID 24937935) is N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide is CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide?
The InChIKey is WWQRKWSQLQHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide?
N-ethyl-2-fluoro-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide has a molecular weight of 518.49 g/mol, XLogP of 5.17, 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-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide is sourced from PubChem (CID 24937935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).