N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C16H12N6O2 — CID 2709073

IUPACN-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESN#Cc1cccc(NC(=O)COc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C16H12N6O2/c17-9-12-3-1-4-13(7-12)19-16(23)10-24-15-6-2-5-14(8-15)22-11-18-20-21-22/h1-8,11H,10H2,(H,19,23)
InChIKeySOYINHDCPPJWHD-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.55
Rot. Bonds5

About N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2709073) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2709073
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESN#Cc1cccc(NC(=O)COc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C16H12N6O2/c17-9-12-3-1-4-13(7-12)19-16(23)10-24-15-6-2-5-14(8-15)22-11-18-20-21-22/h1-8,11H,10H2,(H,19,23)
InChIKeySOYINHDCPPJWHD-UHFFFAOYSA-N
XLogP1.55
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 11223596
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
2-(2-chlorophenoxy)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8753073
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 2709073) is N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is N#Cc1cccc(NC(=O)COc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is SOYINHDCPPJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c17-9-12-3-1-4-13(7-12)19-16(23)10-24-15-6-2-5-14(8-15)22-11-18-20-21-22/h1-8,11H,10H2,(H,19,23).
What are the key properties of N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2709073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).