2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide

C12H14BrN5O2 — CID 851476

IUPAC2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN5O2/c1-2-7-18-12(15-16-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15,17,19)
InChIKeyGEKBSQBYBXYIQQ-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.86
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide

2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide (PubChem CID 851476) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
PubChem CID851476
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN5O2/c1-2-7-18-12(15-16-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15,17,19)
InChIKeyGEKBSQBYBXYIQQ-UHFFFAOYSA-N
XLogP1.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838
2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 682757
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 718673
2-(3-bromophenoxy)-N-4H-1,2,4-triazol-3-ylacetamide
CID 698938
N-(2-ethyl-2H-tetrazol-5-yl)-2-phenoxyacetamide
CID 953085
2-phenoxy-N-(2-propyl(1,2,3,4-tetraazol-5-yl))acetamide
CID 954295
2-(2,4-dibromophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 1120125
2-(4-bromophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893299
2-(4-bromo-2-fluorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 30866723
2-(2-bromo-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866737
2-(2-bromo-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 45819842

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide (CID 851476) is 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide is CCCn1nnnc1NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The InChIKey is GEKBSQBYBXYIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-2-7-18-12(15-16-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 851476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).