2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C14H13F4N5O2 — CID 167956870

IUPAC2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1nnn(C2CC2)c1=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H13F4N5O2/c15-9-2-1-8(11(5-9)14(16,17)18)6-19-12(24)7-22-13(25)23(21-20-22)10-3-4-10/h1-2,5,10H,3-4,6-7H2,(H,19,24)
InChIKeyNWXRNXORKOMMPS-UHFFFAOYSA-N
MW359.28 g/mol
LogP1.25
Rot. Bonds5

About 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 167956870) has the molecular formula C14H13F4N5O2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID167956870
Molecular FormulaC14H13F4N5O2
Molecular Weight359.28 g/mol
Exact Mass359.10
IUPAC Name2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1nnn(C2CC2)c1=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H13F4N5O2/c15-9-2-1-8(11(5-9)14(16,17)18)6-19-12(24)7-22-13(25)23(21-20-22)10-3-4-10/h1-2,5,10H,3-4,6-7H2,(H,19,24)
InChIKeyNWXRNXORKOMMPS-UHFFFAOYSA-N
XLogP1.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 167956870) is 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cn1nnn(C2CC2)c1=O)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is NWXRNXORKOMMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N5O2/c15-9-2-1-8(11(5-9)14(16,17)18)6-19-12(24)7-22-13(25)23(21-20-22)10-3-4-10/h1-2,5,10H,3-4,6-7H2,(H,19,24).
What are the key properties of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 359.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 167956870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).