4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid

C18H16FN3O3 — CID 170858423

IUPAC4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c19-12-7-5-11(6-8-12)14(9-10-16(23)24)20-18(25)17-13-3-1-2-4-15(13)21-22-17/h1-8,14H,9-10H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyKNANBCYZVZKXPY-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.04
Rot. Bonds6

About 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid

4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid (PubChem CID 170858423) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid
PubChem CID170858423
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c19-12-7-5-11(6-8-12)14(9-10-16(23)24)20-18(25)17-13-3-1-2-4-15(13)21-22-17/h1-8,14H,9-10H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyKNANBCYZVZKXPY-UHFFFAOYSA-N
XLogP3.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid?
The IUPAC name of 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid (CID 170858423) is 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid is O=C(O)CCC(NC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid?
The InChIKey is KNANBCYZVZKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-12-7-5-11(6-8-12)14(9-10-16(23)24)20-18(25)17-13-3-1-2-4-15(13)21-22-17/h1-8,14H,9-10H2,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid?
4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid has a molecular weight of 341.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-(1H-indazole-3-carbonylamino)butanoic acid is sourced from PubChem (CID 170858423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).