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

C17H16ClN5O — CID 777822

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1C
InChIInChI=1S/C17H16ClN5O/c1-11-7-8-13(9-12(11)2)19-16(24)10-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyFMXQCZUCDLOQAZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.25
Rot. Bonds4

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

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 777822) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID777822
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1C
InChIInChI=1S/C17H16ClN5O/c1-11-7-8-13(9-12(11)2)19-16(24)10-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyFMXQCZUCDLOQAZ-UHFFFAOYSA-N
XLogP3.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-Dimethyl-phenyl)-2-[5-(4-pyrrolidin-1-ylmethyl-phenyl)-tetrazol-2-yl]-acetamide
CID 646042
2-[5-(2-Aminophenyl)-2H-1,2,3,4-tetrazol-2-YL]-N-(4-ethylphenyl)acetamide
CID 858730
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-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 2527005
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16609298
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
N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 856050

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (CID 777822) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1C.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is FMXQCZUCDLOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-7-8-13(9-12(11)2)19-16(24)10-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 777822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).