4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide

C16H15N5O2 — CID 934907

IUPAC4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide
SMILESCCc1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-2-11-3-9-14(10-4-11)23-16-18-19-20-21(16)13-7-5-12(6-8-13)15(17)22/h3-10H,2H2,1H3,(H2,17,22)
InChIKeyCGBGJHDYDAOWDL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.12
Rot. Bonds5

About 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide

4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide (PubChem CID 934907) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide
PubChem CID934907
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide
SMILESCCc1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-2-11-3-9-14(10-4-11)23-16-18-19-20-21(16)13-7-5-12(6-8-13)15(17)22/h3-10H,2H2,1H3,(H2,17,22)
InChIKeyCGBGJHDYDAOWDL-UHFFFAOYSA-N
XLogP2.12
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
CID 398233
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
CID 707927
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-(4-methoxyphenyl)acrylamide
CID 707930
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzamide
CID 979756
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzoic acid
CID 1242030
4-{5-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-tetrazol-1-yl}benzamide
CID 1252336
N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4850354
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684496
4-[5-(2-methoxyphenoxy)-1H-tetrazol-1-yl]benzamide
CID 935238

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide (CID 934907) is 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide is CCc1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
The InChIKey is CGBGJHDYDAOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-11-3-9-14(10-4-11)23-16-18-19-20-21(16)13-7-5-12(6-8-13)15(17)22/h3-10H,2H2,1H3,(H2,17,22).
What are the key properties of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide is sourced from PubChem (CID 934907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).