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

C21H14FN3O2 — CID 56659687

IUPAC1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C21H14FN3O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,(H,23,26)
InChIKeyZFSUULYXGFVPST-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.12
Rot. Bonds3

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

1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide (PubChem CID 56659687) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide
PubChem CID56659687
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C21H14FN3O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,(H,23,26)
InChIKeyZFSUULYXGFVPST-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-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide (CID 56659687) is 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
The InChIKey is ZFSUULYXGFVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,(H,23,26).
What are the key properties of 1-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide?
1-(3-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-(3-fluorobenzoyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56659687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).