2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone

C16H13FN4O2 — CID 645312

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C16H13FN4O2/c1-23-12-8-6-11(7-9-12)15(22)10-21-19-16(18-20-21)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
InChIKeyXCNSDGICAANXOF-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.37
Rot. Bonds5

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone

2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 645312) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID645312
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C16H13FN4O2/c1-23-12-8-6-11(7-9-12)15(22)10-21-19-16(18-20-21)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
InChIKeyXCNSDGICAANXOF-UHFFFAOYSA-N
XLogP2.37
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 649736
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155511630
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxobutyl]tetrazol-5-yl]benzoate
CID 155512562
Methyl 3-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155526324
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-propoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 646461
2-[5-[4-(4-Methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
CID 1169419
1-[3-[[5-(2-Bromophenyl)tetrazol-2-yl]methyl]-4-methoxyphenyl]ethanone
CID 2530719
2-[5-(4-Butoxyphenyl)tetrazol-2-yl]-1-(4-chlorophenyl)ethanone
CID 3166734

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone (CID 645312) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is XCNSDGICAANXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-12-8-6-11(7-9-12)15(22)10-21-19-16(18-20-21)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3.
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 312.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 645312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).