3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide

C20H16N6O3 — CID 5275112

IUPAC3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide
SMILESO=C(CCc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H16N6O3/c27-20(21-16-9-3-4-10-18(16)26(28)29)13-12-19-22-23-24-25(19)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,21,27)
InChIKeyOEILCULUUOZLAE-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.30
Rot. Bonds6

About 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide

3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide (PubChem CID 5275112) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide
PubChem CID5275112
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC Name3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide
SMILESO=C(CCc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H16N6O3/c27-20(21-16-9-3-4-10-18(16)26(28)29)13-12-19-22-23-24-25(19)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,21,27)
InChIKeyOEILCULUUOZLAE-UHFFFAOYSA-N
XLogP3.30
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275042
2-[1-(1-naphthyl)tetrazol-5-yl]oxy-N-(2-nitrophenyl)acetamide
CID 5275110
(2E)-2-[1-(2,6-dimethylphenyl)-2H-tetrazol-5-ylidene]-3-benzo[g]quinoxalinone
CID 136153828
5-[4-(5-Phenethyl-1H-tetrazol-1-yl)phenyl]-1H-naphtho[1,2-b][1,4]diazepine-2,4(3H,5H)-dione
CID 90467462
2-[1-[4-(dimethylamino)-1-naphthyl]tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275024
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide (CID 5275112) is 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide is O=C(CCc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide?
The InChIKey is OEILCULUUOZLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-20(21-16-9-3-4-10-18(16)26(28)29)13-12-19-22-23-24-25(19)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2,(H,21,27).
What are the key properties of 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide?
3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide has a molecular weight of 388.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-1-yltetrazol-5-yl)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 5275112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).