N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide

C17H14N4O4 — CID 136544251

IUPACN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)Cc3cccc([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C17H14N4O4/c1-10-5-6-14-13(7-10)16(17(23)18-14)20-19-15(22)9-11-3-2-4-12(8-11)21(24)25/h2-8,18,23H,9H2,1H3/b20-19+
InChIKeyXGYOCRFCHITUCO-FMQUCBEESA-N
MW338.32 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide (PubChem CID 136544251) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
PubChem CID136544251
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)Cc3cccc([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C17H14N4O4/c1-10-5-6-14-13(7-10)16(17(23)18-14)20-19-15(22)9-11-3-2-4-12(8-11)21(24)25/h2-8,18,23H,9H2,1H3/b20-19+
InChIKeyXGYOCRFCHITUCO-FMQUCBEESA-N
XLogP3.94
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
(2S)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 135677932
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3838454
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide (CID 136544251) is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)Cc3cccc([N+](=O)[O-])c3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide?
The InChIKey is XGYOCRFCHITUCO-FMQUCBEESA-N. The full InChI is InChI=1S/C17H14N4O4/c1-10-5-6-14-13(7-10)16(17(23)18-14)20-19-15(22)9-11-3-2-4-12(8-11)21(24)25/h2-8,18,23H,9H2,1H3/b20-19+.
What are the key properties of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide?
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide has a molecular weight of 338.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 136544251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).