2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide

C9H8ClN5O — CID 3054059

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide
SMILESNC(=O)Cc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN5O/c10-6-1-3-7(4-2-6)15-9(5-8(11)16)12-13-14-15/h1-4H,5H2,(H2,11,16)
InChIKeyTXYJESRLJLNFFF-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.34
Rot. Bonds3

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide (PubChem CID 3054059) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide
PubChem CID3054059
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide
SMILESNC(=O)Cc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN5O/c10-6-1-3-7(4-2-6)15-9(5-8(11)16)12-13-14-15/h1-4H,5H2,(H2,11,16)
InChIKeyTXYJESRLJLNFFF-UHFFFAOYSA-N
XLogP0.34
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethylsulfanyl]-6-methyl-pyrimidin-4-ol
CID 135497941
6-Amino-2-[1-(4-chloro-phenyl)-1H-tetrazol-5-ylmethylsulfanyl]-pyrimidin-4-ol
CID 135498038
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
[(1E)-3-(1-phenyl(1,2,3,4-tetraazol-5-yl))-1-azaprop-1-enyl](4-chlorophenyl)am ine
CID 9584716
3-[1-(4-Chlorophenyl)tetrazol-5-yl]-4-(dimethylamino)but-3-en-2-one
CID 3793573
5-(chloromethyl)-1-(4-chlorophenyl)-1H-tetrazole
CID 8027114
1-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-3-cyclohexylurea
CID 18566039
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
CID 126773066
2-[1-(4-chlorophenyl)-5-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazol-3-yl]acetamide
CID 164639767
1-(4-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30857778
2-[1-(4-chlorophenyl)-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 72920606

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide (CID 3054059) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide is NC(=O)Cc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide?
The InChIKey is TXYJESRLJLNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-6-1-3-7(4-2-6)15-9(5-8(11)16)12-13-14-15/h1-4H,5H2,(H2,11,16).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide has a molecular weight of 237.65 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide is sourced from PubChem (CID 3054059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).