2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide

C25H23F2N3O — CID 174586339

IUPAC2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide
SMILESCC(F)C(=O)NCCCc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H23F2N3O/c1-17(26)25(31)28-13-3-5-18-4-2-6-19(14-18)20-7-12-24-21(15-20)16-29-30(24)23-10-8-22(27)9-11-23/h2,4,6-12,14-17H,3,5,13H2,1H3,(H,28,31)
InChIKeyIBKUKDDFKHKMNV-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.24
Rot. Bonds7

About 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide

2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide (PubChem CID 174586339) has the molecular formula C25H23F2N3O and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide
PubChem CID174586339
Molecular FormulaC25H23F2N3O
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide
SMILESCC(F)C(=O)NCCCc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H23F2N3O/c1-17(26)25(31)28-13-3-5-18-4-2-6-19(14-18)20-7-12-24-21(15-20)16-29-30(24)23-10-8-22(27)9-11-23/h2,4,6-12,14-17H,3,5,13H2,1H3,(H,28,31)
InChIKeyIBKUKDDFKHKMNV-UHFFFAOYSA-N
XLogP5.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide
CID 46842969
N-[(2S)-4-[1-(4-fluorophenyl)indazol-5-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25000922
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
N-[(1R,2S)-1-(3-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 25013991
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
CID 67005486
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
N-benzyl-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanamine
CID 59437304
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 46323420
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide?
The IUPAC name of 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide (CID 174586339) is 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide.
What is the SMILES notation for 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide?
The canonical SMILES for 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide is CC(F)C(=O)NCCCc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide?
The InChIKey is IBKUKDDFKHKMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O/c1-17(26)25(31)28-13-3-5-18-4-2-6-19(14-18)20-7-12-24-21(15-20)16-29-30(24)23-10-8-22(27)9-11-23/h2,4,6-12,14-17H,3,5,13H2,1H3,(H,28,31).
What are the key properties of 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide?
2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide has a molecular weight of 419.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[3-[1-(4-fluorophenyl)indazol-5-yl]phenyl]propyl]propanamide is sourced from PubChem (CID 174586339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).