N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C16H14BrN5O — CID 3424569

IUPACN-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN5O/c1-11-4-2-3-5-14(11)16-19-21-22(20-16)10-15(23)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyCJINWWUWIVZRJD-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.05
Rot. Bonds4

About N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 3424569) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID3424569
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC NameN-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN5O/c1-11-4-2-3-5-14(11)16-19-21-22(20-16)10-15(23)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyCJINWWUWIVZRJD-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

2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4845449
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
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
5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide
CID 4023772
(2S)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353587
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
(2R)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353588

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 3424569) is N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is CJINWWUWIVZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-11-4-2-3-5-14(11)16-19-21-22(20-16)10-15(23)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-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-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3424569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).