3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide

C23H20FN3O — CID 59252835

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN3O/c1-25-23(28)14-21(16-5-3-2-4-6-16)17-7-12-22-18(13-17)15-26-27(22)20-10-8-19(24)9-11-20/h2-13,15,21H,14H2,1H3,(H,25,28)
InChIKeyRHIPHECSVXCGTR-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.43
Rot. Bonds5

About 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide (PubChem CID 59252835) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
PubChem CID59252835
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN3O/c1-25-23(28)14-21(16-5-3-2-4-6-16)17-7-12-22-18(13-17)15-26-27(22)20-10-8-19(24)9-11-20/h2-13,15,21H,14H2,1H3,(H,25,28)
InChIKeyRHIPHECSVXCGTR-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide;[1-(4-fluorophenyl)indazol-5-yl]-phenylmethanol;methyl (E)-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylprop-2-enoate
CID 159224349
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310
N-benzyl-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanamine
CID 59437304
N-methyl-3,3-diphenylpropanamide
CID 3373592
2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 69002875

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide (CID 59252835) is 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide is CNC(=O)CC(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is RHIPHECSVXCGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-25-23(28)14-21(16-5-3-2-4-6-16)17-7-12-22-18(13-17)15-26-27(22)20-10-8-19(24)9-11-20/h2-13,15,21H,14H2,1H3,(H,25,28).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 373.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 59252835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).