N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide

C11H13F2N5O3 — CID 90192924

IUPACN-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide
SMILESCN1NNN(c2cccc(C(F)F)c2CONC=O)C1=O
InChIInChI=1S/C11H13F2N5O3/c1-17-11(20)18(16-15-17)9-4-2-3-7(10(12)13)8(9)5-21-14-6-19/h2-4,6,10,15-16H,5H2,1H3,(H,14,19)
InChIKeyJOCHSNGALPCDGZ-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.60
Rot. Bonds6

About N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide

N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide (PubChem CID 90192924) has the molecular formula C11H13F2N5O3 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide
PubChem CID90192924
Molecular FormulaC11H13F2N5O3
Molecular Weight301.25 g/mol
Exact Mass301.10
IUPAC NameN-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide
SMILESCN1NNN(c2cccc(C(F)F)c2CONC=O)C1=O
InChIInChI=1S/C11H13F2N5O3/c1-17-11(20)18(16-15-17)9-4-2-3-7(10(12)13)8(9)5-21-14-6-19/h2-4,6,10,15-16H,5H2,1H3,(H,14,19)
InChIKeyJOCHSNGALPCDGZ-UHFFFAOYSA-N
XLogP0.60
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide?
The IUPAC name of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide (CID 90192924) is N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide.
What is the SMILES notation for N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide?
The canonical SMILES for N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide is CN1NNN(c2cccc(C(F)F)c2CONC=O)C1=O.
What is the InChIKey of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide?
The InChIKey is JOCHSNGALPCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O3/c1-17-11(20)18(16-15-17)9-4-2-3-7(10(12)13)8(9)5-21-14-6-19/h2-4,6,10,15-16H,5H2,1H3,(H,14,19).
What are the key properties of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide?
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide has a molecular weight of 301.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide is sourced from PubChem (CID 90192924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).