2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C17H14FN5O3 — CID 1080291

IUPAC2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1F
InChIInChI=1S/C17H14FN5O3/c1-10-2-4-12(7-13(10)18)19-16(24)8-23-21-17(20-22-23)11-3-5-14-15(6-11)26-9-25-14/h2-7H,8-9H2,1H3,(H,19,24)
InChIKeyNZAYUWQDZSVJOS-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.16
Rot. Bonds4

About 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 1080291) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID1080291
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1F
InChIInChI=1S/C17H14FN5O3/c1-10-2-4-12(7-13(10)18)19-16(24)8-23-21-17(20-22-23)11-3-5-14-15(6-11)26-9-25-14/h2-7H,8-9H2,1H3,(H,19,24)
InChIKeyNZAYUWQDZSVJOS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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-ylmethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872777
N-1,3-benzodioxol-5-yl-2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetamide
CID 973183
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 648011
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-ethoxy-phenyl)-acetamide
CID 649643
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652916
2-[5-(2,3-Dimethoxy-phenyl)-tetrazol-2-yl]-N-(2,4-dimethyl-phenyl)-acetamide
CID 652944
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-phenyl-acetamide
CID 655633
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(4-dimethylamino-phenyl)-tetrazol-2-yl]-acetamide
CID 1373930
N-Benzo[1,3]dioxol-5-ylmethyl-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 1373934
N-[4-(trifluoromethoxy)phenyl]-2-[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetamide
CID 1520522
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 2997508

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 1080291) is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1F.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is NZAYUWQDZSVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-10-2-4-12(7-13(10)18)19-16(24)8-23-21-17(20-22-23)11-3-5-14-15(6-11)26-9-25-14/h2-7H,8-9H2,1H3,(H,19,24).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 355.33 g/mol, XLogP of 2.16, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 1080291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).