2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

C13H16ClN5O2 — CID 851478

IUPAC2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H16ClN5O2/c1-3-6-19-13(16-17-18-19)15-12(20)8-21-10-4-5-11(14)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,18,20)
InChIKeyDTHXEMOMQQIGAV-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (PubChem CID 851478) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
PubChem CID851478
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H16ClN5O2/c1-3-6-19-13(16-17-18-19)15-12(20)8-21-10-4-5-11(14)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,18,20)
InChIKeyDTHXEMOMQQIGAV-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-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(4-chloro-3,5-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 703736
2-(4-chloro-2-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893324
1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 705688
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953382
2-(4-chloro-3-methylphenoxy)-N-4H-1,2,4-triazol-4-ylpropanamide
CID 2995465
2-(4-chloro-3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 2996451
2-(2,4-dimethylphenoxy)-N-(1-propyl(1,2,3,4-tetraazol-5-yl))acetamide
CID 960307

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (CID 851478) is 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide is CCCn1nnnc1NC(=O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The InChIKey is DTHXEMOMQQIGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-3-6-19-13(16-17-18-19)15-12(20)8-21-10-4-5-11(14)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16,18,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(1-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-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 851478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).