2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C18H18ClN5O — CID 1257092

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c(C)c1
InChIInChI=1S/C18H18ClN5O/c1-11-8-12(2)17(13(3)9-11)20-16(25)10-24-22-18(21-23-24)14-6-4-5-7-15(14)19/h4-9H,10H2,1-3H3,(H,20,25)
InChIKeyOQBDGAXLPBIKKC-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.56
Rot. Bonds4

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 1257092) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID1257092
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c(C)c1
InChIInChI=1S/C18H18ClN5O/c1-11-8-12(2)17(13(3)9-11)20-16(25)10-24-22-18(21-23-24)14-6-4-5-7-15(14)19/h4-9H,10H2,1-3H3,(H,20,25)
InChIKeyOQBDGAXLPBIKKC-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
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
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-[2-(benzylamino)-2-oxoethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3180720
2-(5-phenyl-2H-tetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 712695
N-(3,5-dimethylphenyl)-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]acetamide
CID 893453
2-[5-(3-chlorophenyl)-2H-tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7490867

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 1257092) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c(C)c1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is OQBDGAXLPBIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-11-8-12(2)17(13(3)9-11)20-16(25)10-24-22-18(21-23-24)14-6-4-5-7-15(14)19/h4-9H,10H2,1-3H3,(H,20,25).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.56, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 1257092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).