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

C16H14BrN5O — CID 7634164

IUPACN-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H14BrN5O/c1-11-9-13(17)7-8-14(11)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyZYZYCRFUHFFWJV-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.05
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7634164) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7634164
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H14BrN5O/c1-11-9-13(17)7-8-14(11)18-15(23)10-22-20-16(19-21-22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyZYZYCRFUHFFWJV-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

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 36982859

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 7634164) is N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is ZYZYCRFUHFFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-11-9-13(17)7-8-14(11)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-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(4-bromo-2-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-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7634164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).