2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide

C10H10ClN5O2 — CID 4171088

IUPAC2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H10ClN5O2/c1-6(9(17)12-10-13-15-16-14-10)18-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,13,14,15,16,17)
InChIKeyADJQRCCHYLEHEK-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.26
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide

2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 4171088) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
PubChem CID4171088
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H10ClN5O2/c1-6(9(17)12-10-13-15-16-14-10)18-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,13,14,15,16,17)
InChIKeyADJQRCCHYLEHEK-UHFFFAOYSA-N
XLogP1.26
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide (CID 4171088) is 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is ADJQRCCHYLEHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-6(9(17)12-10-13-15-16-14-10)18-8-4-2-3-7(11)5-8/h2-6H,1H3,(H2,12,13,14,15,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 267.68 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 4171088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).