N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide

C17H15N9O — CID 649312

IUPACN-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cccc(-n3cnnn3)c2)n1
InChIInChI=1S/C17H15N9O/c1-2-26-21-16(20-23-26)14-8-3-4-9-15(14)19-17(27)12-6-5-7-13(10-12)25-11-18-22-24-25/h3-11H,2H2,1H3,(H,19,27)
InChIKeyJMWGMTCVVLATBC-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide

N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 649312) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID649312
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cccc(-n3cnnn3)c2)n1
InChIInChI=1S/C17H15N9O/c1-2-26-21-16(20-23-26)14-8-3-4-9-15(14)19-17(27)12-6-5-7-13(10-12)25-11-18-22-24-25/h3-11H,2H2,1H3,(H,19,27)
InChIKeyJMWGMTCVVLATBC-UHFFFAOYSA-N
XLogP1.59
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)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 N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide (CID 649312) is N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide is CCn1nnc(-c2ccccc2NC(=O)c2cccc(-n3cnnn3)c2)n1.
What is the InChIKey of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is JMWGMTCVVLATBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c1-2-26-21-16(20-23-26)14-8-3-4-9-15(14)19-17(27)12-6-5-7-13(10-12)25-11-18-22-24-25/h3-11H,2H2,1H3,(H,19,27).
What are the key properties of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 361.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 649312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).