N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C17H14FN5O3 — CID 1071199

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14FN5O3/c18-12-3-1-11(2-4-12)17-20-22-23(21-17)10-16(24)19-13-5-6-14-15(9-13)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKeyHQMKRBXDDSZNPK-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.89
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 1071199) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID1071199
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14FN5O3/c18-12-3-1-11(2-4-12)17-20-22-23(21-17)10-16(24)19-13-5-6-14-15(9-13)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKeyHQMKRBXDDSZNPK-UHFFFAOYSA-N
XLogP1.89
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-1,3-benzodioxol-5-yl-2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetamide
CID 973183
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-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-(2,5-dimethoxy-phenyl)-acetamide
CID 652799
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652916
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653769
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 656361
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 1168118

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 1071199) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is HQMKRBXDDSZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c18-12-3-1-11(2-4-12)17-20-22-23(21-17)10-16(24)19-13-5-6-14-15(9-13)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 355.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1071199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).