N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C16H14ClN5O — CID 2904565

IUPACN-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H14ClN5O/c1-11-6-8-12(9-7-11)16-19-21-22(20-16)10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyJESOEJFSXJTZLI-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.94
Rot. Bonds4

About N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 2904565) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID2904565
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H14ClN5O/c1-11-6-8-12(9-7-11)16-19-21-22(20-16)10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyJESOEJFSXJTZLI-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-Chloro-4-[2-(2-oxo-2-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-acetamide
CID 649986
2-[5-(2-Aminophenyl)-2H-1,2,3,4-tetrazol-2-YL]-N-(4-ethylphenyl)acetamide
CID 858730
N-(2-methylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462997
N-(2-chlorophenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3220587
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 24982613
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16609298
N-(2-Fluoro-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 579008
Acetamide, 2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-N-(2,4-difluorophenyl)-
CID 586782
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 586784
Acetamide, N-(4-bromophenyl)-2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-
CID 596748
N-(2,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 673021
N-(4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 709177

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 2904565) is N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is JESOEJFSXJTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11-6-8-12(9-7-11)16-19-21-22(20-16)10-15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 327.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 2904565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).