2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide

C16H12FN5O3 — CID 1080255

IUPAC2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccccc1F
InChIInChI=1S/C16H12FN5O3/c17-11-3-1-2-4-12(11)18-15(23)8-22-20-16(19-21-22)10-5-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H,18,23)
InChIKeyARSBRGWIQMPDON-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.85
Rot. Bonds4

About 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide

2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 1080255) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
PubChem CID1080255
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccccc1F
InChIInChI=1S/C16H12FN5O3/c17-11-3-1-2-4-12(11)18-15(23)8-22-20-16(19-21-22)10-5-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H,18,23)
InChIKeyARSBRGWIQMPDON-UHFFFAOYSA-N
XLogP1.85
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153092
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 859093
N-(1,3-benzodioxol-5-yl)-2-[5-(2-bromophenyl)tetrazol-2-yl]acetamide
CID 7963833
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 31184494
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136816637
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
N-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 771880
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide (CID 1080255) is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccccc1F.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is ARSBRGWIQMPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c17-11-3-1-2-4-12(11)18-15(23)8-22-20-16(19-21-22)10-5-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H,18,23).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide?
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 341.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1080255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).