2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide

C18H16FN3O2 — CID 2388414

IUPAC2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3ccccc3F)c2c1
InChIInChI=1S/C18H16FN3O2/c1-10(2)11-7-8-15-13(9-11)16(18(24)20-15)21-22-17(23)12-5-3-4-6-14(12)19/h3-10,20,24H,1-2H3/b22-21+
InChIKeyLPDSUDMCAQNHJD-QURGRASLSA-N
MW325.34 g/mol
LogP5.06
Rot. Bonds3

About 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide

2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide (PubChem CID 2388414) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
PubChem CID2388414
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3ccccc3F)c2c1
InChIInChI=1S/C18H16FN3O2/c1-10(2)11-7-8-15-13(9-11)16(18(24)20-15)21-22-17(23)12-5-3-4-6-14(12)19/h3-10,20,24H,1-2H3/b22-21+
InChIKeyLPDSUDMCAQNHJD-QURGRASLSA-N
XLogP5.06
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.34
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide (CID 2388414) is 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide is CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3ccccc3F)c2c1.
What is the InChIKey of 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
The InChIKey is LPDSUDMCAQNHJD-QURGRASLSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10(2)11-7-8-15-13(9-11)16(18(24)20-15)21-22-17(23)12-5-3-4-6-14(12)19/h3-10,20,24H,1-2H3/b22-21+.
What are the key properties of 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide has a molecular weight of 325.34 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 2388414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).