N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

C16H11N3O5 — CID 10496259

IUPACN-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H11N3O5/c20-11-4-1-9(2-5-11)18-16(22)15(21)13-8-17-14-6-3-10(19(23)24)7-12(13)14/h1-8,17,20H,(H,18,22)
InChIKeyHDDCQKJMNNOBJT-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.60
Rot. Bonds4

About N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10496259) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID10496259
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC NameN-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H11N3O5/c20-11-4-1-9(2-5-11)18-16(22)15(21)13-8-17-14-6-3-10(19(23)24)7-12(13)14/h1-8,17,20H,(H,18,22)
InChIKeyHDDCQKJMNNOBJT-UHFFFAOYSA-N
XLogP2.60
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (CID 10496259) is N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is HDDCQKJMNNOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-11-4-1-9(2-5-11)18-16(22)15(21)13-8-17-14-6-3-10(19(23)24)7-12(13)14/h1-8,17,20H,(H,18,22).
What are the key properties of N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 325.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10496259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).