N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C22H17N5O2 — CID 3153108

IUPACN-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C22H17N5O2/c1-14-6-8-15(9-7-14)22-24-26-27(25-22)13-21(28)23-16-10-11-18-17-4-2-3-5-19(17)29-20(18)12-16/h2-12H,13H2,1H3,(H,23,28)
InChIKeyHVSOENBOESKOCN-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.19
Rot. Bonds4

About N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 3153108) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID3153108
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C22H17N5O2/c1-14-6-8-15(9-7-14)22-24-26-27(25-22)13-21(28)23-16-10-11-18-17-4-2-3-5-19(17)29-20(18)12-16/h2-12H,13H2,1H3,(H,23,28)
InChIKeyHVSOENBOESKOCN-UHFFFAOYSA-N
XLogP4.19
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 3153108) is N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is HVSOENBOESKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-14-6-8-15(9-7-14)22-24-26-27(25-22)13-21(28)23-16-10-11-18-17-4-2-3-5-19(17)29-20(18)12-16/h2-12H,13H2,1H3,(H,23,28).
What are the key properties of N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3153108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).