2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide

C11H12ClN5O2 — CID 71624133

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H12ClN5O2/c1-11(2,9(18)13-10-14-16-17-15-10)19-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyVGVOCWRDRZQPJY-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 71624133) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
PubChem CID71624133
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H12ClN5O2/c1-11(2,9(18)13-10-14-16-17-15-10)19-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyVGVOCWRDRZQPJY-UHFFFAOYSA-N
XLogP1.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893394
2-(2,4-dichlorophenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)propanamide
CID 656072
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
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-chlorophenoxy)-2-methyl-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 887554
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953382
2-(2,4-difluorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 24957549
2-(2,4-dichlorophenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 938040
2-(3-chlorophenoxy)-N-(1H-tetrazol-5-yl)propanamide
CID 4171088
2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
CID 72135757
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
CID 95768222

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide (CID 71624133) is 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is VGVOCWRDRZQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-11(2,9(18)13-10-14-16-17-15-10)19-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H2,13,14,15,16,17,18).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 281.70 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 71624133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).