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

C18H16FN3O2 — CID 135775134

IUPAC4-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)c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H16FN3O2/c1-10(2)12-5-8-15-14(9-12)16(18(24)20-15)21-22-17(23)11-3-6-13(19)7-4-11/h3-10,20,24H,1-2H3/b22-21+
InChIKeyOMUYQCQXFBVFGE-QURGRASLSA-N
MW325.34 g/mol
LogP5.06
Rot. Bonds3

About 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide

4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide (PubChem CID 135775134) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
PubChem CID135775134
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-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)c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H16FN3O2/c1-10(2)12-5-8-15-14(9-12)16(18(24)20-15)21-22-17(23)11-3-6-13(19)7-4-11/h3-10,20,24H,1-2H3/b22-21+
InChIKeyOMUYQCQXFBVFGE-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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Related Compounds

N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
1-ethyl-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-methylbenzimidazole-5-carboxamide
CID 2094501
4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135735285
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 135745488
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide (CID 135775134) is 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-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)c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
The InChIKey is OMUYQCQXFBVFGE-QURGRASLSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10(2)12-5-8-15-14(9-12)16(18(24)20-15)21-22-17(23)11-3-6-13(19)7-4-11/h3-10,20,24H,1-2H3/b22-21+.
What are the key properties of 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide?
4-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 4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135775134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).