N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C19H20FN5O3 — CID 1073158

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC
InChIInChI=1S/C19H20FN5O3/c1-27-16-8-7-13(11-17(16)28-2)9-10-21-18(26)12-25-23-19(22-24-25)14-5-3-4-6-15(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)
InChIKeyRQGAWTDUNXZZLP-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.86
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 1073158) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID1073158
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC
InChIInChI=1S/C19H20FN5O3/c1-27-16-8-7-13(11-17(16)28-2)9-10-21-18(26)12-25-23-19(22-24-25)14-5-3-4-6-15(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)
InChIKeyRQGAWTDUNXZZLP-UHFFFAOYSA-N
XLogP1.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 1073158) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is RQGAWTDUNXZZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-27-16-8-7-13(11-17(16)28-2)9-10-21-18(26)12-25-23-19(22-24-25)14-5-3-4-6-15(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1073158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).