2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide

C19H14N6O4 — CID 5275110

IUPAC2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide
SMILESO=C(COc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N6O4/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
InChIKeyVZNPOWLHRUQLBI-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.74
Rot. Bonds6

About 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide

2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide (PubChem CID 5275110) has the molecular formula C19H14N6O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide
PubChem CID5275110
Molecular FormulaC19H14N6O4
Molecular Weight390.36 g/mol
Exact Mass390.11
IUPAC Name2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide
SMILESO=C(COc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N6O4/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
InChIKeyVZNPOWLHRUQLBI-UHFFFAOYSA-N
XLogP2.74
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.74
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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Related Compounds

2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
CID 3127025
3-[1-(1-naphthyl)tetrazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 5275112
2-[methyl-[1-(1-naphthyl)tetrazol-5-yl]amino]-N-(2-nitrophenyl)acetamide
CID 11618308
2-[1-(2-naphthyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275025
N-(2-nitrophenyl)-2-(1-tetralin-5-yltetrazol-5-yl)sulfanyl-acetamide
CID 5275026
2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 5275109
N-[2-[[2-[[1-(1-naphthyl)tetrazol-5-yl]amino]acetyl]amino]phenyl]methanimine oxide
CID 5275111
4-[1-(1-naphthyl)tetrazol-5-yl]-N-(2-nitrophenyl)butanamide
CID 5275114
2-[[1-(1-naphthyl)tetrazol-5-yl]methylsulfanyl]-N-(2-nitrophenyl)acetamide
CID 5275143
2-[[1-(1-naphthyl)tetrazol-5-yl]methoxy]-N-(2-nitrophenyl)acetamide
CID 5275144
2-[[1-(1-naphthyl)tetrazol-5-yl]methylamino]-N-(2-nitrophenyl)acetamide
CID 5275145
2-[methyl-[[1-(1-naphthyl)tetrazol-5-yl]methyl]amino]-N-(2-nitrophenyl)acetamide
CID 5275146

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide (CID 5275110) is 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide is O=C(COc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide?
The InChIKey is VZNPOWLHRUQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O4/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26).
What are the key properties of 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide?
2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide has a molecular weight of 390.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-yltetrazol-5-yl)oxy-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 5275110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).