1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide

C21H14FN3O2 — CID 56659688

IUPAC1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H14FN3O2/c22-15-12-10-14(11-13-15)21(27)25-18-9-5-4-8-17(18)19(24-25)20(26)23-16-6-2-1-3-7-16/h1-13H,(H,23,26)
InChIKeyDQULTJAUCUDJJA-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide

1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide (PubChem CID 56659688) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide
PubChem CID56659688
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H14FN3O2/c22-15-12-10-14(11-13-15)21(27)25-18-9-5-4-8-17(18)19(24-25)20(26)23-16-6-2-1-3-7-16/h1-13H,(H,23,26)
InChIKeyDQULTJAUCUDJJA-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide (CID 56659688) is 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
The InChIKey is DQULTJAUCUDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-15-12-10-14(11-13-15)21(27)25-18-9-5-4-8-17(18)19(24-25)20(26)23-16-6-2-1-3-7-16/h1-13H,(H,23,26).
What are the key properties of 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56659688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).