N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C16H14BrN5O — CID 7634201

IUPACN-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1Br
InChIInChI=1S/C16H14BrN5O/c1-11-7-8-13(9-14(11)17)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyZBLQNMRUPPZKOK-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.05
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7634201) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7634201
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1Br
InChIInChI=1S/C16H14BrN5O/c1-11-7-8-13(9-14(11)17)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyZBLQNMRUPPZKOK-UHFFFAOYSA-N
XLogP3.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)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-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 7634201) is N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is ZBLQNMRUPPZKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-11-7-8-13(9-14(11)17)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 372.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7634201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).