2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide

C16H16N6O2 — CID 652080

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1
InChIInChI=1S/C16H16N6O2/c1-24-12-6-4-5-11(9-12)18-15(23)10-22-20-16(19-21-22)13-7-2-3-8-14(13)17/h2-9H,10,17H2,1H3,(H,18,23)
InChIKeyDQFOANFRJRRJHG-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.57
Rot. Bonds5

About 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide

2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 652080) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID652080
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1
InChIInChI=1S/C16H16N6O2/c1-24-12-6-4-5-11(9-12)18-15(23)10-22-20-16(19-21-22)13-7-2-3-8-14(13)17/h2-9H,10,17H2,1H3,(H,18,23)
InChIKeyDQFOANFRJRRJHG-UHFFFAOYSA-N
XLogP1.57
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-1,3-benzodioxol-5-yl-2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetamide
CID 973183
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647440
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 648837
2-[5-(2,3-Dimethoxy-phenyl)-tetrazol-2-yl]-N-(2,4-dimethyl-phenyl)-acetamide
CID 652944
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 655165
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 656361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1071199
methyl 2-({[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetyl}amino)benzoate
CID 1128375

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide (CID 652080) is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is DQFOANFRJRRJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-12-6-4-5-11(9-12)18-15(23)10-22-20-16(19-21-22)13-7-2-3-8-14(13)17/h2-9H,10,17H2,1H3,(H,18,23).
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide?
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 652080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).