2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide

C17H16ClN5O — CID 9421568

IUPAC2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnnc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN5O/c1-11-7-12(2)9-15(8-11)19-16(24)10-23-17(20-21-22-23)13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyXDQZOPOLWUZRFX-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.25
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 9421568) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID9421568
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnnc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN5O/c1-11-7-12(2)9-15(8-11)19-16(24)10-23-17(20-21-22-23)13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyXDQZOPOLWUZRFX-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-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9421161
N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421663
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
CID 9421150
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 9421475
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 9420775
1-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53335059
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
methyl 2-[5-(3,5-dimethylphenyl)tetrazol-1-yl]acetate
CID 22400939
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 9421568) is 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2nnnc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is XDQZOPOLWUZRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-7-12(2)9-15(8-11)19-16(24)10-23-17(20-21-22-23)13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-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-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 9421568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).