2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide

C17H14ClN9O — CID 1455314

IUPAC2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2-n2cnnn2)n1
InChIInChI=1S/C17H14ClN9O/c1-11-4-2-3-5-14(11)20-16(28)9-27-22-17(21-24-27)13-7-6-12(18)8-15(13)26-10-19-23-25-26/h2-8,10H,9H2,1H3,(H,20,28)
InChIKeyAYMDGQUEARNRRI-UHFFFAOYSA-N
MW395.81 g/mol
LogP1.92
Rot. Bonds5

About 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide

2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 1455314) has the molecular formula C17H14ClN9O and a molecular weight of 395.81 g/mol. Its IUPAC name is 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID1455314
Molecular FormulaC17H14ClN9O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2-n2cnnn2)n1
InChIInChI=1S/C17H14ClN9O/c1-11-4-2-3-5-14(11)20-16(28)9-27-22-17(21-24-27)13-7-6-12(18)8-15(13)26-10-19-23-25-26/h2-8,10H,9H2,1H3,(H,20,28)
InChIKeyAYMDGQUEARNRRI-UHFFFAOYSA-N
XLogP1.92
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 1455340
N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 1455344
N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3382696
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350235
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4022238

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide (CID 1455314) is 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2-n2cnnn2)n1.
What is the InChIKey of 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is AYMDGQUEARNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN9O/c1-11-4-2-3-5-14(11)20-16(28)9-27-22-17(21-24-27)13-7-6-12(18)8-15(13)26-10-19-23-25-26/h2-8,10H,9H2,1H3,(H,20,28).
What are the key properties of 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 395.81 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).