N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide

C29H24FN3O2 — CID 25014206

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C29H24FN3O2/c1-20(32-29(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)35-26-16-17-27-23(18-26)19-31-33(27)25-14-12-24(30)13-15-25/h2-20,28H,1H3,(H,32,34)/t20-,28-/m0/s1
InChIKeyPBVAUALHFQEWGB-MMTVBGGISA-N
MW465.53 g/mol
LogP6.10
Rot. Bonds7

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide (PubChem CID 25014206) has the molecular formula C29H24FN3O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide
PubChem CID25014206
Molecular FormulaC29H24FN3O2
Molecular Weight465.53 g/mol
Exact Mass465.19
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C29H24FN3O2/c1-20(32-29(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)35-26-16-17-27-23(18-26)19-31-33(27)25-14-12-24(30)13-15-25/h2-20,28H,1H3,(H,32,34)/t20-,28-/m0/s1
InChIKeyPBVAUALHFQEWGB-MMTVBGGISA-N
XLogP6.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 56.10
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-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide (CID 25014206) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide?
The InChIKey is PBVAUALHFQEWGB-MMTVBGGISA-N. The full InChI is InChI=1S/C29H24FN3O2/c1-20(32-29(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)35-26-16-17-27-23(18-26)19-31-33(27)25-14-12-24(30)13-15-25/h2-20,28H,1H3,(H,32,34)/t20-,28-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide has a molecular weight of 465.53 g/mol, XLogP of 6.10, 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-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 25014206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).