N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide

C17H16ClN5O2 — CID 164614431

IUPACN-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H16ClN5O2/c1-12(24)19-10-11-23-21-17(20-22-23)13-2-6-15(7-3-13)25-16-8-4-14(18)5-9-16/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyZEJCAGXTFKSKNZ-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.92
Rot. Bonds6

About N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide

N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide (PubChem CID 164614431) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide
PubChem CID164614431
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H16ClN5O2/c1-12(24)19-10-11-23-21-17(20-22-23)13-2-6-15(7-3-13)25-16-8-4-14(18)5-9-16/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyZEJCAGXTFKSKNZ-UHFFFAOYSA-N
XLogP2.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide (CID 164614431) is N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide is CC(=O)NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide?
The InChIKey is ZEJCAGXTFKSKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-12(24)19-10-11-23-21-17(20-22-23)13-2-6-15(7-3-13)25-16-8-4-14(18)5-9-16/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide?
N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 164614431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).