N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane

C27H28ClF2N3O2 — CID 159332447

IUPACN-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
SMILESC.C[C@H](NC(=O)C(C)(C)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C26H24ClF2N3O2.CH4/c1-16(31-25(33)26(2,3)29)24(17-5-4-6-19(27)13-17)34-22-11-12-23-18(14-22)15-30-32(23)21-9-7-20(28)8-10-21;/h4-16,24H,1-3H3,(H,31,33);1H4/t16-,24-;/m0./s1
InChIKeyLFCWFGRWFVRKJO-GRGFAMGGSA-N
MW499.99 g/mol
LogP6.83
Rot. Bonds7

About N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane

N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane (PubChem CID 159332447) has the molecular formula C27H28ClF2N3O2 and a molecular weight of 499.99 g/mol. Its IUPAC name is N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane.

Molecular Properties

Compound NameN-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
PubChem CID159332447
Molecular FormulaC27H28ClF2N3O2
Molecular Weight499.99 g/mol
Exact Mass499.18
IUPAC NameN-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
SMILESC.C[C@H](NC(=O)C(C)(C)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C26H24ClF2N3O2.CH4/c1-16(31-25(33)26(2,3)29)24(17-5-4-6-19(27)13-17)34-22-11-12-23-18(14-22)15-30-32(23)21-9-7-20(28)8-10-21;/h4-16,24H,1-3H3,(H,31,33);1H4/t16-,24-;/m0./s1
InChIKeyLFCWFGRWFVRKJO-GRGFAMGGSA-N
XLogP6.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.99
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-chloro-5-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide;methane
CID 157112280
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
2-fluoro-N-[(1R,2S)-1-(3-fluoro-4-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-methylpropanamide
CID 59339893
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
N-[(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
CID 68800113
N-[(1R,2S)-1-(3-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 25013991
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
N-[(1R,2S)-1-(4-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylcyclopropane-1-carboxamide
CID 59339695
2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 25012191
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane?
The IUPAC name of N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane (CID 159332447) is N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane.
What is the SMILES notation for N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane?
The canonical SMILES for N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane is C.C[C@H](NC(=O)C(C)(C)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane?
The InChIKey is LFCWFGRWFVRKJO-GRGFAMGGSA-N. The full InChI is InChI=1S/C26H24ClF2N3O2.CH4/c1-16(31-25(33)26(2,3)29)24(17-5-4-6-19(27)13-17)34-22-11-12-23-18(14-22)15-30-32(23)21-9-7-20(28)8-10-21;/h4-16,24H,1-3H3,(H,31,33);1H4/t16-,24-;/m0./s1.
What are the key properties of N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane?
N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane has a molecular weight of 499.99 g/mol, XLogP of 6.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane is sourced from PubChem (CID 159332447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).