N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide

C26H20FN3O — CID 67564592

IUPACN-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)C(c1ccc(F)cc1)NN2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20FN3O/c27-21-12-10-19(11-13-21)25-23-16-22(14-15-24(23)29-30-25)28-26(31)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-16,25,29-30H,(H,28,31)
InChIKeySCDZOCVVQGIHJZ-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.76
Rot. Bonds4

About N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide

N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide (PubChem CID 67564592) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide
PubChem CID67564592
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC NameN-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)C(c1ccc(F)cc1)NN2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20FN3O/c27-21-12-10-19(11-13-21)25-23-16-22(14-15-24(23)29-30-25)28-26(31)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-16,25,29-30H,(H,28,31)
InChIKeySCDZOCVVQGIHJZ-UHFFFAOYSA-N
XLogP5.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide (CID 67564592) is N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide is O=C(Nc1ccc2c(c1)C(c1ccc(F)cc1)NN2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide?
The InChIKey is SCDZOCVVQGIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O/c27-21-12-10-19(11-13-21)25-23-16-22(14-15-24(23)29-30-25)28-26(31)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-16,25,29-30H,(H,28,31).
What are the key properties of N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide?
N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide has a molecular weight of 409.46 g/mol, XLogP of 5.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-2,3-dihydro-1H-indazol-5-yl]-4-phenylbenzamide is sourced from PubChem (CID 67564592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).