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

C17H16ClN5O2 — CID 2127162

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-25-13-8-6-12(7-9-13)10-19-16(24)11-23-21-17(20-22-23)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyVUIKAMCYPBYCQG-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.32
Rot. Bonds6

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

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2127162) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2127162
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H16ClN5O2/c1-25-13-8-6-12(7-9-13)10-19-16(24)11-23-21-17(20-22-23)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyVUIKAMCYPBYCQG-UHFFFAOYSA-N
XLogP2.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 145220091
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 7963815
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9165928
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9462455
1-[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]-1-(4-methoxyphenyl)thiourea
CID 22302744
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 98912864

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2127162) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is VUIKAMCYPBYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-25-13-8-6-12(7-9-13)10-19-16(24)11-23-21-17(20-22-23)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2127162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).