4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

C15H11FN4O2 — CID 135735285

IUPAC4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESNc1ccc(C(=O)/N=N/c2c(O)[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C15H11FN4O2/c16-9-3-6-11-12(7-9)18-15(22)13(11)19-20-14(21)8-1-4-10(17)5-2-8/h1-7,18,22H,17H2/b20-19+
InChIKeyUACAWUVXVXQPBP-FMQUCBEESA-N
MW298.28 g/mol
LogP3.52
Rot. Bonds2

About 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 135735285) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID135735285
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESNc1ccc(C(=O)/N=N/c2c(O)[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C15H11FN4O2/c16-9-3-6-11-12(7-9)18-15(22)13(11)19-20-14(21)8-1-4-10(17)5-2-8/h1-7,18,22H,17H2/b20-19+
InChIKeyUACAWUVXVXQPBP-FMQUCBEESA-N
XLogP3.52
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135836811
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
ethyl N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]carbamate
CID 135836804
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 135677318

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 135735285) is 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is Nc1ccc(C(=O)/N=N/c2c(O)[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is UACAWUVXVXQPBP-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-9-3-6-11-12(7-9)18-15(22)13(11)19-20-14(21)8-1-4-10(17)5-2-8/h1-7,18,22H,17H2/b20-19+.
What are the key properties of 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 298.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135735285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).