N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide

C17H16N6O3 — CID 1129858

IUPACN-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c1C
InChIInChI=1S/C17H16N6O3/c1-11-4-3-5-15(12(11)2)18-16(24)10-22-20-17(19-21-22)13-6-8-14(9-7-13)23(25)26/h3-9H,10H2,1-2H3,(H,18,24)
InChIKeyOAHLYCSOQWXUBT-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.50
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide

N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide (PubChem CID 1129858) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
PubChem CID1129858
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c1C
InChIInChI=1S/C17H16N6O3/c1-11-4-3-5-15(12(11)2)18-16(24)10-22-20-17(19-21-22)13-6-8-14(9-7-13)23(25)26/h3-9H,10H2,1-2H3,(H,18,24)
InChIKeyOAHLYCSOQWXUBT-UHFFFAOYSA-N
XLogP2.50
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.50
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

N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 26295234
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 861115
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
N-(2,3-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462998
2-[5-(4-nitrophenyl)tetrazol-2-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 1129870
N-benzyl-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 866054
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261
N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465847
N-(2,3-dimethylphenyl)-2-[5-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3737072
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(2-methoxy-5-nitrophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490095

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide (CID 1129858) is N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide is Cc1cccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide?
The InChIKey is OAHLYCSOQWXUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-11-4-3-5-15(12(11)2)18-16(24)10-22-20-17(19-21-22)13-6-8-14(9-7-13)23(25)26/h3-9H,10H2,1-2H3,(H,18,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1129858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).