N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C15H12N6O4 — CID 3165713

IUPACN-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N6O4/c22-15(17-11-4-6-12(7-5-11)21(23)24)9-25-14-3-1-2-13(8-14)20-10-16-18-19-20/h1-8,10H,9H2,(H,17,22)
InChIKeyHYBZPNZZAGTOKC-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.59
Rot. Bonds6

About N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 3165713) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID3165713
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC NameN-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N6O4/c22-15(17-11-4-6-12(7-5-11)21(23)24)9-25-14-3-1-2-13(8-14)20-10-16-18-19-20/h1-8,10H,9H2,(H,17,22)
InChIKeyHYBZPNZZAGTOKC-UHFFFAOYSA-N
XLogP1.59
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 3165713) is N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is HYBZPNZZAGTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c22-15(17-11-4-6-12(7-5-11)21(23)24)9-25-14-3-1-2-13(8-14)20-10-16-18-19-20/h1-8,10H,9H2,(H,17,22).
What are the key properties of N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 340.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 3165713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).