2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide

C17H17N5O2 — CID 141220011

IUPAC2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1OCCc1nn[nH]n1
InChIInChI=1S/C17H17N5O2/c1-12-6-2-3-7-13(12)17(23)18-14-8-4-5-9-15(14)24-11-10-16-19-21-22-20-16/h2-9H,10-11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyFWXVVUZHGOQSGO-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide

2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide (PubChem CID 141220011) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
PubChem CID141220011
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1OCCc1nn[nH]n1
InChIInChI=1S/C17H17N5O2/c1-12-6-2-3-7-13(12)17(23)18-14-8-4-5-9-15(14)24-11-10-16-19-21-22-20-16/h2-9H,10-11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyFWXVVUZHGOQSGO-UHFFFAOYSA-N
XLogP2.38
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-[(2-methylphenoxy)methyl]-2H-tetrazole
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CID 55881745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide (CID 141220011) is 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccccc1OCCc1nn[nH]n1.
What is the InChIKey of 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
The InChIKey is FWXVVUZHGOQSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-6-2-3-7-13(12)17(23)18-14-8-4-5-9-15(14)24-11-10-16-19-21-22-20-16/h2-9H,10-11H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide?
2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide is sourced from PubChem (CID 141220011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).