2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C13H16ClN5O2 — CID 893324

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H16ClN5O2/c1-3-6-19-17-13(16-18-19)15-12(20)8-21-11-5-4-10(14)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17,20)
InChIKeyZZFFQOZKPGBXHW-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893324) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893324
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H16ClN5O2/c1-3-6-19-17-13(16-18-19)15-12(20)8-21-11-5-4-10(14)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17,20)
InChIKeyZZFFQOZKPGBXHW-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(2-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893394
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(2,4-dichlorophenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)propanamide
CID 656072
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
N-(2-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
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
2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851478
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 893324) is 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is ZZFFQOZKPGBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-3-6-19-17-13(16-18-19)15-12(20)8-21-11-5-4-10(14)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 309.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).