2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide

C20H17N7O3 — CID 11618308

IUPAC2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])c1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H17N7O3/c1-25(13-19(28)21-16-10-4-5-11-18(16)27(29)30)20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,28)
InChIKeyASXMXDXLMBPLDV-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.80
Rot. Bonds6

About 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide

2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide (PubChem CID 11618308) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide
PubChem CID11618308
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])c1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H17N7O3/c1-25(13-19(28)21-16-10-4-5-11-18(16)27(29)30)20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,28)
InChIKeyASXMXDXLMBPLDV-UHFFFAOYSA-N
XLogP2.80
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.80
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 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide (CID 11618308) is 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide is CN(CC(=O)Nc1ccccc1[N+](=O)[O-])c1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide?
The InChIKey is ASXMXDXLMBPLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-25(13-19(28)21-16-10-4-5-11-18(16)27(29)30)20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,28).
What are the key properties of 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide?
2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide has a molecular weight of 403.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 11618308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).