5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C17H15ClFN5O3 — CID 55775160

IUPAC5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H15ClFN5O3/c1-26-16-9-15(24-10-21-22-23-24)14(18)8-13(16)17(25)20-6-7-27-12-4-2-11(19)3-5-12/h2-5,8-10H,6-7H2,1H3,(H,20,25)
InChIKeyJWDKBVJSZZHBPJ-UHFFFAOYSA-N
MW391.79 g/mol
LogP2.27
Rot. Bonds7

About 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55775160) has the molecular formula C17H15ClFN5O3 and a molecular weight of 391.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55775160
Molecular FormulaC17H15ClFN5O3
Molecular Weight391.79 g/mol
Exact Mass391.08
IUPAC Name5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H15ClFN5O3/c1-26-16-9-15(24-10-21-22-23-24)14(18)8-13(16)17(25)20-6-7-27-12-4-2-11(19)3-5-12/h2-5,8-10H,6-7H2,1H3,(H,20,25)
InChIKeyJWDKBVJSZZHBPJ-UHFFFAOYSA-N
XLogP2.27
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55775160) is 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is JWDKBVJSZZHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O3/c1-26-16-9-15(24-10-21-22-23-24)14(18)8-13(16)17(25)20-6-7-27-12-4-2-11(19)3-5-12/h2-5,8-10H,6-7H2,1H3,(H,20,25).
What are the key properties of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 391.79 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55775160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).