N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide

C24H20ClF2N3O2 — CID 59339677

IUPACN-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H](Oc1cc2cnn(-c3ccc(F)cc3)c2cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H20ClF2N3O2/c1-14(29-15(2)31)24(16-3-5-18(26)6-4-16)32-23-11-17-13-28-30(22(17)12-21(23)25)20-9-7-19(27)8-10-20/h3-14,24H,1-2H3,(H,29,31)/t14-,24-/m0/s1
InChIKeyGFUDASHTTZXDNQ-BSEYFRJRSA-N
MW455.89 g/mol
LogP5.60
Rot. Bonds6

About N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide

N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide (PubChem CID 59339677) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
PubChem CID59339677
Molecular FormulaC24H20ClF2N3O2
Molecular Weight455.89 g/mol
Exact Mass455.12
IUPAC NameN-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H](Oc1cc2cnn(-c3ccc(F)cc3)c2cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H20ClF2N3O2/c1-14(29-15(2)31)24(16-3-5-18(26)6-4-16)32-23-11-17-13-28-30(22(17)12-21(23)25)20-9-7-19(27)8-10-20/h3-14,24H,1-2H3,(H,29,31)/t14-,24-/m0/s1
InChIKeyGFUDASHTTZXDNQ-BSEYFRJRSA-N
XLogP5.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?
The IUPAC name of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide (CID 59339677) is N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide is CC(=O)N[C@@H](C)[C@H](Oc1cc2cnn(-c3ccc(F)cc3)c2cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?
The InChIKey is GFUDASHTTZXDNQ-BSEYFRJRSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c1-14(29-15(2)31)24(16-3-5-18(26)6-4-16)32-23-11-17-13-28-30(22(17)12-21(23)25)20-9-7-19(27)8-10-20/h3-14,24H,1-2H3,(H,29,31)/t14-,24-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?
N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 455.89 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 59339677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).