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

C17H13FN4O3 — CID 135785168

IUPACN'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H13FN4O3/c1-9-2-5-11(6-3-9)19-16(24)17(25)22-21-14-12-8-10(18)4-7-13(12)20-15(14)23/h2-8,20,23H,1H3,(H,19,24)/b22-21+
InChIKeyROPFUNKKUOBSAD-QURGRASLSA-N
MW340.31 g/mol
LogP3.57
Rot. Bonds2

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

N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide (PubChem CID 135785168) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide
PubChem CID135785168
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H13FN4O3/c1-9-2-5-11(6-3-9)19-16(24)17(25)22-21-14-12-8-10(18)4-7-13(12)20-15(14)23/h2-8,20,23H,1H3,(H,19,24)/b22-21+
InChIKeyROPFUNKKUOBSAD-QURGRASLSA-N
XLogP3.57
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
CID 3538856
2-N,4-N-bis[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226369
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 3522573
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135758877
(5-fluoro-2-hydroxy-1H-indol-3-yl)iminothiourea
CID 715039
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 135758945
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135836811
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961535

Frequently Asked Questions

What is the IUPAC name of N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide (CID 135785168) is N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)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]-N-(4-methylphenyl)oxamide?
The InChIKey is ROPFUNKKUOBSAD-QURGRASLSA-N. The full InChI is InChI=1S/C17H13FN4O3/c1-9-2-5-11(6-3-9)19-16(24)17(25)22-21-14-12-8-10(18)4-7-13(12)20-15(14)23/h2-8,20,23H,1H3,(H,19,24)/b22-21+.
What are the key properties of N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide?
N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide has a molecular weight of 340.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135785168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).