N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide

C17H16FN5O2 — CID 167967190

IUPACN-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCn2nnn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C17H16FN5O2/c1-12(24)19-15-4-2-3-13(11-15)9-10-22-17(25)23(21-20-22)16-7-5-14(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,24)
InChIKeyZUWRWSNNFBMWJG-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.77
Rot. Bonds5

About N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide

N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide (PubChem CID 167967190) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide
PubChem CID167967190
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCn2nnn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C17H16FN5O2/c1-12(24)19-15-4-2-3-13(11-15)9-10-22-17(25)23(21-20-22)16-7-5-14(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,24)
InChIKeyZUWRWSNNFBMWJG-UHFFFAOYSA-N
XLogP1.77
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
CID 156506917
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-[3-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111233234
N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847086
N-(3-acetamidophenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882882
1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
CID 17482252
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088768
N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377534

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide (CID 167967190) is N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(CCn2nnn(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide?
The InChIKey is ZUWRWSNNFBMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-12(24)19-15-4-2-3-13(11-15)9-10-22-17(25)23(21-20-22)16-7-5-14(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,24).
What are the key properties of N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide?
N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 167967190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).