N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide

C26H26FN3O — CID 59252893

IUPACN-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
SMILESCCNC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H26FN3O/c1-4-28-25(31)26(2,3)24(18-8-6-5-7-9-18)19-10-15-23-20(16-19)17-29-30(23)22-13-11-21(27)12-14-22/h5-17,24H,4H2,1-3H3,(H,28,31)
InChIKeyHVJGHRIYQGPQRT-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.46
Rot. Bonds6

About N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide

N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide (PubChem CID 59252893) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
PubChem CID59252893
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC NameN-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
SMILESCCNC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H26FN3O/c1-4-28-25(31)26(2,3)24(18-8-6-5-7-9-18)19-10-15-23-20(16-19)17-29-30(23)22-13-11-21(27)12-14-22/h5-17,24H,4H2,1-3H3,(H,28,31)
InChIKeyHVJGHRIYQGPQRT-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 71102418
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide
CID 143670831
2-[[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]carbamoylamino]-2-methyl-N-phenylpropanamide
CID 68707640
1-ethyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,3-trimethylbutyl]urea
CID 59251182
1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
CID 24936450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide (CID 59252893) is N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide is CCNC(=O)C(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is HVJGHRIYQGPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c1-4-28-25(31)26(2,3)24(18-8-6-5-7-9-18)19-10-15-23-20(16-19)17-29-30(23)22-13-11-21(27)12-14-22/h5-17,24H,4H2,1-3H3,(H,28,31).
What are the key properties of N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide?
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 415.51 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 59252893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).