4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid

C21H14FN3O3 — CID 22479855

IUPAC4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C21H14FN3O3/c22-15-7-5-12(6-8-15)19-17-11-16(9-10-18(17)24-25-19)23-20(26)13-1-3-14(4-2-13)21(27)28/h1-11H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyULIKKQBJBPGDKX-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.32
Rot. Bonds4

About 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid

4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid (PubChem CID 22479855) has the molecular formula C21H14FN3O3 and a molecular weight of 375.36 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
PubChem CID22479855
Molecular FormulaC21H14FN3O3
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC Name4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C21H14FN3O3/c22-15-7-5-12(6-8-15)19-17-11-16(9-10-18(17)24-25-19)23-20(26)13-1-3-14(4-2-13)21(27)28/h1-11H,(H,23,26)(H,24,25)(H,27,28)
InChIKeyULIKKQBJBPGDKX-UHFFFAOYSA-N
XLogP4.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid (CID 22479855) is 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
The InChIKey is ULIKKQBJBPGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O3/c22-15-7-5-12(6-8-15)19-17-11-16(9-10-18(17)24-25-19)23-20(26)13-1-3-14(4-2-13)21(27)28/h1-11H,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid has a molecular weight of 375.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 22479855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).