2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

C16H15N5O2 — CID 110720239

IUPAC2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C16H15N5O2/c1-11-3-2-4-14(9-11)23-10-15(22)17-13-7-5-12(6-8-13)16-18-20-21-19-16/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyFCTWDENBGACZEA-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 110720239) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID110720239
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C16H15N5O2/c1-11-3-2-4-14(9-11)23-10-15(22)17-13-7-5-12(6-8-13)16-18-20-21-19-16/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyFCTWDENBGACZEA-UHFFFAOYSA-N
XLogP2.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720231
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 17359061
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(3-methylphenoxy)acetamide
CID 122297687
2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720240
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166195280
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
CID 67161060

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (CID 110720239) is 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is FCTWDENBGACZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-3-2-4-14(9-11)23-10-15(22)17-13-7-5-12(6-8-13)16-18-20-21-19-16/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21).
What are the key properties of 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 110720239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).