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

C17H16ClN5O3 — CID 1164675

IUPACN-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C17H16ClN5O3/c1-25-14-7-6-11(8-15(14)26-2)17-20-22-23(21-17)10-16(24)19-13-5-3-4-12(18)9-13/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyFVWHKTDNEIVBQW-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.65
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 1164675) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID1164675
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC NameN-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C17H16ClN5O3/c1-25-14-7-6-11(8-15(14)26-2)17-20-22-23(21-17)10-16(24)19-13-5-3-4-12(18)9-13/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyFVWHKTDNEIVBQW-UHFFFAOYSA-N
XLogP2.65
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 1463687
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 78866090
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6484449
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate
CID 859178

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide (CID 1164675) is N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide is COc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3)n2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is FVWHKTDNEIVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-25-14-7-6-11(8-15(14)26-2)17-20-22-23(21-17)10-16(24)19-13-5-3-4-12(18)9-13/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 373.80 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1164675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).