2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide

C12H13Cl2N5O2 — CID 656072

IUPAC2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide
SMILESCCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H13Cl2N5O2/c1-3-19-17-12(16-18-19)15-11(20)7(2)21-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,17,20)
InChIKeyACJJGEUFKCRLOF-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.41
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide (PubChem CID 656072) has the molecular formula C12H13Cl2N5O2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide
PubChem CID656072
Molecular FormulaC12H13Cl2N5O2
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide
SMILESCCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H13Cl2N5O2/c1-3-19-17-12(16-18-19)15-11(20)7(2)21-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,17,20)
InChIKeyACJJGEUFKCRLOF-UHFFFAOYSA-N
XLogP2.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide (CID 656072) is 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide is CCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide?
The InChIKey is ACJJGEUFKCRLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O2/c1-3-19-17-12(16-18-19)15-11(20)7(2)21-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,17,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide has a molecular weight of 330.18 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)propanamide is sourced from PubChem (CID 656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).