2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide

C17H16FN5O2 — CID 46959742

IUPAC2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C17H16FN5O2/c18-15-9-5-4-6-13(15)12-16(24)19-10-11-22-17(25)23(21-20-22)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,24)
InChIKeyLPRIGGMWLGYOIQ-UHFFFAOYSA-N
MW341.35 g/mol
LogP0.93
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide

2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide (PubChem CID 46959742) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
PubChem CID46959742
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C17H16FN5O2/c18-15-9-5-4-6-13(15)12-16(24)19-10-11-22-17(25)23(21-20-22)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,24)
InChIKeyLPRIGGMWLGYOIQ-UHFFFAOYSA-N
XLogP0.93
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
CID 46959750
(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
CID 51494712
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95801873
1-octyl-4-phenyltetrazol-5-one
CID 15508327
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)acetamide
CID 6041309
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide (CID 46959742) is 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide is O=C(Cc1ccccc1F)NCCn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
The InChIKey is LPRIGGMWLGYOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-15-9-5-4-6-13(15)12-16(24)19-10-11-22-17(25)23(21-20-22)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,24).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide?
2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 46959742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).