N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide

C14H14F3N5O3 — CID 118422333

IUPACN-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide
SMILESCn1nnn(-c2cccc(C(F)(F)F)c2CONC(=O)C2CC2)c1=O
InChIInChI=1S/C14H14F3N5O3/c1-21-13(24)22(20-19-21)11-4-2-3-10(14(15,16)17)9(11)7-25-18-12(23)8-5-6-8/h2-4,8H,5-7H2,1H3,(H,18,23)
InChIKeyQVBNOJFAJASBDI-UHFFFAOYSA-N
MW357.29 g/mol
LogP0.94
Rot. Bonds5

About N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide

N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide (PubChem CID 118422333) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide
PubChem CID118422333
Molecular FormulaC14H14F3N5O3
Molecular Weight357.29 g/mol
Exact Mass357.10
IUPAC NameN-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide
SMILESCn1nnn(-c2cccc(C(F)(F)F)c2CONC(=O)C2CC2)c1=O
InChIInChI=1S/C14H14F3N5O3/c1-21-13(24)22(20-19-21)11-4-2-3-10(14(15,16)17)9(11)7-25-18-12(23)8-5-6-8/h2-4,8H,5-7H2,1H3,(H,18,23)
InChIKeyQVBNOJFAJASBDI-UHFFFAOYSA-N
XLogP0.94
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide?
The IUPAC name of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide (CID 118422333) is N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide is Cn1nnn(-c2cccc(C(F)(F)F)c2CONC(=O)C2CC2)c1=O.
What is the InChIKey of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide?
The InChIKey is QVBNOJFAJASBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c1-21-13(24)22(20-19-21)11-4-2-3-10(14(15,16)17)9(11)7-25-18-12(23)8-5-6-8/h2-4,8H,5-7H2,1H3,(H,18,23).
What are the key properties of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide?
N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide has a molecular weight of 357.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide is sourced from PubChem (CID 118422333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).