N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

C17H13N3O5 — CID 10783251

IUPACN-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)
InChIKeyVAVBWHIBLOPOEM-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10783251) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID10783251
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)
InChIKeyVAVBWHIBLOPOEM-UHFFFAOYSA-N
XLogP2.28
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (CID 10783251) is N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VAVBWHIBLOPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 339.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10783251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).