N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide

C25H21ClF3N3O2 — CID 91052379

IUPACN-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide
SMILESCCC(NC(=O)C(C)(F)F)(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C25H21ClF3N3O2/c1-3-25(31-23(33)24(2,28)29,17-5-4-6-18(26)14-17)34-21-11-12-22-16(13-21)15-30-32(22)20-9-7-19(27)8-10-20/h4-15H,3H2,1-2H3,(H,31,33)
InChIKeyZMRPRFQPTSTIEY-UHFFFAOYSA-N
MW487.91 g/mol
LogP6.23
Rot. Bonds7

About N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide

N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide (PubChem CID 91052379) has the molecular formula C25H21ClF3N3O2 and a molecular weight of 487.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide
PubChem CID91052379
Molecular FormulaC25H21ClF3N3O2
Molecular Weight487.91 g/mol
Exact Mass487.13
IUPAC NameN-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide
SMILESCCC(NC(=O)C(C)(F)F)(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C25H21ClF3N3O2/c1-3-25(31-23(33)24(2,28)29,17-5-4-6-18(26)14-17)34-21-11-12-22-16(13-21)15-30-32(22)20-9-7-19(27)8-10-20/h4-15H,3H2,1-2H3,(H,31,33)
InChIKeyZMRPRFQPTSTIEY-UHFFFAOYSA-N
XLogP6.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.91
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propyl]-1-methylcyclopropane-1-carboxamide
CID 90762103
N-[1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-1-methylcyclopropane-1-carboxamide
CID 91336802
N-[(1S)-1-(2,4-dimethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2-fluoro-2-methylpropanamide
CID 68706013
N-[(2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 69004993
N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
CID 159332447
2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane
CID 159493329
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
N-[(1R,2S)-1-(3-chloro-5-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide;methane
CID 157112280
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
2,2-difluoro-1-[(3S,4R)-7-fluoro-4-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 70800076
2,2,2-trifluoro-N-[(1R,2S)-1-(5-fluoro-2-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]acetamide
CID 58201648

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide?
The IUPAC name of N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide (CID 91052379) is N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide is CCC(NC(=O)C(C)(F)F)(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide?
The InChIKey is ZMRPRFQPTSTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O2/c1-3-25(31-23(33)24(2,28)29,17-5-4-6-18(26)14-17)34-21-11-12-22-16(13-21)15-30-32(22)20-9-7-19(27)8-10-20/h4-15H,3H2,1-2H3,(H,31,33).
What are the key properties of N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide?
N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide has a molecular weight of 487.91 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropyl]-2,2-difluoropropanamide is sourced from PubChem (CID 91052379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).