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

C16H12FN3O2 — CID 5021886

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C16H12FN3O2/c1-9-2-4-10(5-3-9)15(21)20-19-14-12-8-11(17)6-7-13(12)18-16(14)22/h2-8,18,22H,1H3/b20-19+
InChIKeyHWTIHIDFSQUIJQ-FMQUCBEESA-N
MW297.29 g/mol
LogP4.25
Rot. Bonds2

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

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide (PubChem CID 5021886) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
PubChem CID5021886
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C16H12FN3O2/c1-9-2-4-10(5-3-9)15(21)20-19-14-12-8-11(17)6-7-13(12)18-16(14)22/h2-8,18,22H,1H3/b20-19+
InChIKeyHWTIHIDFSQUIJQ-FMQUCBEESA-N
XLogP4.25
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 54.25
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 N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide (CID 5021886) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide is Cc1ccc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
The InChIKey is HWTIHIDFSQUIJQ-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-9-2-4-10(5-3-9)15(21)20-19-14-12-8-11(17)6-7-13(12)18-16(14)22/h2-8,18,22H,1H3/b20-19+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide has a molecular weight of 297.29 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide is sourced from PubChem (CID 5021886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).