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

C20H22ClN5O3 — CID 7634933

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1OC
InChIInChI=1S/C20H22ClN5O3/c1-25(11-10-14-8-9-17(28-2)18(12-14)29-3)19(27)13-26-23-20(22-24-26)15-6-4-5-7-16(15)21/h4-9,12H,10-11,13H2,1-3H3
InChIKeySTMMZDDYPZGREN-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.71
Rot. Bonds8

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

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 7634933) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
PubChem CID7634933
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1OC
InChIInChI=1S/C20H22ClN5O3/c1-25(11-10-14-8-9-17(28-2)18(12-14)29-3)19(27)13-26-23-20(22-24-26)15-6-4-5-7-16(15)21/h4-9,12H,10-11,13H2,1-3H3
InChIKeySTMMZDDYPZGREN-UHFFFAOYSA-N
XLogP2.71
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7490642
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrazole-5-carboxamide
CID 3506575
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30109495
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7350370
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
(2S)-N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 98088446
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 137101711

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (CID 7634933) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CCN(C)C(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1OC.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is STMMZDDYPZGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-25(11-10-14-8-9-17(28-2)18(12-14)29-3)19(27)13-26-23-20(22-24-26)15-6-4-5-7-16(15)21/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 415.88 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 7634933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).