N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide

C20H22ClN5O — CID 4689284

IUPACN-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(c1ccccc1Cl)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C20H22ClN5O/c1-5-17(27)25(4)19(15-11-6-7-12-16(15)21)20-22-23-24-26(20)18-13(2)9-8-10-14(18)3/h6-12,19H,5H2,1-4H3
InChIKeyMMZWSFNYCGTFBE-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.89
Rot. Bonds5

About N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide

N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide (PubChem CID 4689284) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide
PubChem CID4689284
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(c1ccccc1Cl)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C20H22ClN5O/c1-5-17(27)25(4)19(15-11-6-7-12-16(15)21)20-22-23-24-26(20)18-13(2)9-8-10-14(18)3/h6-12,19H,5H2,1-4H3
InChIKeyMMZWSFNYCGTFBE-UHFFFAOYSA-N
XLogP3.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide (CID 4689284) is N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide is CCC(=O)N(C)C(c1ccccc1Cl)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide?
The InChIKey is MMZWSFNYCGTFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-5-17(27)25(4)19(15-11-6-7-12-16(15)21)20-22-23-24-26(20)18-13(2)9-8-10-14(18)3/h6-12,19H,5H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide?
N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide has a molecular weight of 383.88 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 4689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).