[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

C16H10F2N4O3 — CID 30431324

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H10F2N4O3/c17-13-5-4-10(7-14(13)18)15(23)8-25-16(24)11-2-1-3-12(6-11)22-9-19-20-21-22/h1-7,9H,8H2
InChIKeyZQNQKHRZXGTPDE-UHFFFAOYSA-N
MW344.28 g/mol
LogP1.98
Rot. Bonds5

About [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 30431324) has the molecular formula C16H10F2N4O3 and a molecular weight of 344.28 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID30431324
Molecular FormulaC16H10F2N4O3
Molecular Weight344.28 g/mol
Exact Mass344.07
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H10F2N4O3/c17-13-5-4-10(7-14(13)18)15(23)8-25-16(24)11-2-1-3-12(6-11)22-9-19-20-21-22/h1-7,9H,8H2
InChIKeyZQNQKHRZXGTPDE-UHFFFAOYSA-N
XLogP1.98
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate 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

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 41195211
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 55366310
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2599848
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394
[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036
(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194676
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 42405028
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500735
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
CID 2624761
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18082117
[2-(4-ethylphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535527

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (CID 30431324) is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is O=C(COC(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is ZQNQKHRZXGTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O3/c17-13-5-4-10(7-14(13)18)15(23)8-25-16(24)11-2-1-3-12(6-11)22-9-19-20-21-22/h1-7,9H,8H2.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 344.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 30431324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).