2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide

C19H19Cl2N5O2 — CID 22304535

IUPAC2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide
SMILESCNC(=O)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C19H19Cl2N5O2/c1-10-6-5-7-11(2)16(10)26-18(23-24-25-26)15(19(27)22-3)13-8-12(20)9-14(21)17(13)28-4/h5-9,15H,1-4H3,(H,22,27)
InChIKeyBPEUYQKWIKBJLM-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.47
Rot. Bonds5

About 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide

2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide (PubChem CID 22304535) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide
PubChem CID22304535
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide
SMILESCNC(=O)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C19H19Cl2N5O2/c1-10-6-5-7-11(2)16(10)26-18(23-24-25-26)15(19(27)22-3)13-8-12(20)9-14(21)17(13)28-4/h5-9,15H,1-4H3,(H,22,27)
InChIKeyBPEUYQKWIKBJLM-UHFFFAOYSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide (CID 22304535) is 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide is CNC(=O)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide?
The InChIKey is BPEUYQKWIKBJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-10-6-5-7-11(2)16(10)26-18(23-24-25-26)15(19(27)22-3)13-8-12(20)9-14(21)17(13)28-4/h5-9,15H,1-4H3,(H,22,27).
What are the key properties of 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide?
2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide has a molecular weight of 420.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 22304535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).