2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C12H14ClN5O2 — CID 648464

IUPAC2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN5O2/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16,19)
InChIKeyLACGDCCEBSQDPI-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 648464) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID648464
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN5O2/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16,19)
InChIKeyLACGDCCEBSQDPI-UHFFFAOYSA-N
XLogP1.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 648464) is 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is LACGDCCEBSQDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 295.73 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 648464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).