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

C12H14ClN5O2 — CID 893394

IUPAC2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN5O2/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H,14,16,19)
InChIKeyXXKSNULCKIADLH-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.75
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893394) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893394
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN5O2/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H,14,16,19)
InChIKeyXXKSNULCKIADLH-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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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)propanamide
CID 656072
2-(2,4-dichlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)propanamide
CID 2953553
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16017311
2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 71624133
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936
2-(4-chloro-2-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893324
2-(2,4-dichlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 897165
2-(2-chloro-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865655
N-(2-ethyl-2H-tetrazol-5-yl)-2-phenoxyacetamide
CID 953085
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953382

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 893394) is 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is XXKSNULCKIADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H,14,16,19).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(2-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-(2-chlorophenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).