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

C16H20BrN5O — CID 7589262

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCC1CCCCC1
InChIInChI=1S/C16H20BrN5O/c17-14-8-6-13(7-9-14)16-19-21-22(20-16)11-15(23)18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,23)
InChIKeyUHDLIKBGUYKYFW-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.80
Rot. Bonds5

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

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 7589262) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID7589262
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCC1CCCCC1
InChIInChI=1S/C16H20BrN5O/c17-14-8-6-13(7-9-14)16-19-21-22(20-16)11-15(23)18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,23)
InChIKeyUHDLIKBGUYKYFW-UHFFFAOYSA-N
XLogP2.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)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

2-[5-(5-bromo-3-pyridinyl)tetrazol-2-yl]-N-(cyclopropylmethyl)acetamide
CID 154764772
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide (CID 7589262) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide is O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCC1CCCCC1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is UHDLIKBGUYKYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c17-14-8-6-13(7-9-14)16-19-21-22(20-16)11-15(23)18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,23).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 7589262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).