N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C17H16FN5O2 — CID 647795

IUPACN-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-2-25-13-9-7-12(8-10-13)19-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,24)
InChIKeyYFWVFOZJRHFJGB-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.52
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 647795) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID647795
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-2-25-13-9-7-12(8-10-13)19-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,24)
InChIKeyYFWVFOZJRHFJGB-UHFFFAOYSA-N
XLogP2.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
2-((3-((4-(1H-tetrazol-5-yl)benzyl)(methyl)amino)propyl)(methyl)amino)-N-(4-phenoxyphenyl)acetamide
CID 44567664
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 49872871
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 49873368
3-{2-[5-(4-Propoxy-phenyl)-tetrazol-2-yl]-acetylamino}-benzoic acid methyl ester
CID 645014
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647440
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-ethoxy-phenyl)-acetamide
CID 649643
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652916

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 647795) is N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is YFWVFOZJRHFJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-25-13-9-7-12(8-10-13)19-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3,(H,19,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 647795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).