N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C20H15BrN6O2 — CID 60612803

IUPACN-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C20H15BrN6O2/c21-15-2-1-3-18(11-15)29-20-9-6-16(12-22-20)24-19(28)10-14-4-7-17(8-5-14)27-13-23-25-26-27/h1-9,11-13H,10H2,(H,24,28)
InChIKeySIEAAIJKCDXFRW-UHFFFAOYSA-N
MW451.28 g/mol
LogP3.79
Rot. Bonds6

About N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 60612803) has the molecular formula C20H15BrN6O2 and a molecular weight of 451.28 g/mol. Its IUPAC name is N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID60612803
Molecular FormulaC20H15BrN6O2
Molecular Weight451.28 g/mol
Exact Mass450.04
IUPAC NameN-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C20H15BrN6O2/c21-15-2-1-3-18(11-15)29-20-9-6-16(12-22-20)24-19(28)10-14-4-7-17(8-5-14)27-13-23-25-26-27/h1-9,11-13H,10H2,(H,24,28)
InChIKeySIEAAIJKCDXFRW-UHFFFAOYSA-N
XLogP3.79
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide 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 N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 60612803) is N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is SIEAAIJKCDXFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN6O2/c21-15-2-1-3-18(11-15)29-20-9-6-16(12-22-20)24-19(28)10-14-4-7-17(8-5-14)27-13-23-25-26-27/h1-9,11-13H,10H2,(H,24,28).
What are the key properties of N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 451.28 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 60612803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).