4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide

C16H14N6O3 — CID 4844830

IUPAC4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C16H14N6O3/c17-16(24)11-1-3-12(4-2-11)19-15(23)9-25-14-7-5-13(6-8-14)22-10-18-20-21-22/h1-8,10H,9H2,(H2,17,24)(H,19,23)
InChIKeyZINXPVLKLVJXQL-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.78
Rot. Bonds6

About 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide

4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide (PubChem CID 4844830) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide
PubChem CID4844830
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C16H14N6O3/c17-16(24)11-1-3-12(4-2-11)19-15(23)9-25-14-7-5-13(6-8-14)22-10-18-20-21-22/h1-8,10H,9H2,(H2,17,24)(H,19,23)
InChIKeyZINXPVLKLVJXQL-UHFFFAOYSA-N
XLogP0.78
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide (CID 4844830) is 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide?
The InChIKey is ZINXPVLKLVJXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c17-16(24)11-1-3-12(4-2-11)19-15(23)9-25-14-7-5-13(6-8-14)22-10-18-20-21-22/h1-8,10H,9H2,(H2,17,24)(H,19,23).
What are the key properties of 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide?
4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide has a molecular weight of 338.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 4844830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).