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

C21H23Cl2N5O3 — CID 3109944

IUPACN-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H23Cl2N5O3/c1-12-7-6-8-13(2)18(12)28-21(24-25-26-28)19(27(3)17(29)11-30-4)15-9-14(22)10-16(23)20(15)31-5/h6-10,19H,11H2,1-5H3
InChIKeyDENLOGNWMPQHQS-UHFFFAOYSA-N
MW464.35 g/mol
LogP3.79
Rot. Bonds7

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

N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide (PubChem CID 3109944) has the molecular formula C21H23Cl2N5O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide
PubChem CID3109944
Molecular FormulaC21H23Cl2N5O3
Molecular Weight464.35 g/mol
Exact Mass463.12
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H23Cl2N5O3/c1-12-7-6-8-13(2)18(12)28-21(24-25-26-28)19(27(3)17(29)11-30-4)15-9-14(22)10-16(23)20(15)31-5/h6-10,19H,11H2,1-5H3
InChIKeyDENLOGNWMPQHQS-UHFFFAOYSA-N
XLogP3.79
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-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 N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide (CID 3109944) is N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide?
The InChIKey is DENLOGNWMPQHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O3/c1-12-7-6-8-13(2)18(12)28-21(24-25-26-28)19(27(3)17(29)11-30-4)15-9-14(22)10-16(23)20(15)31-5/h6-10,19H,11H2,1-5H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide?
N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide has a molecular weight of 464.35 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 3109944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).