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

C11H11F2N5O3 — CID 130318265

IUPACN-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
SMILESCn1nnn(-c2cccc(C(F)F)c2CONC=O)c1=O
InChIInChI=1S/C11H11F2N5O3/c1-17-11(20)18(16-15-17)9-4-2-3-7(10(12)13)8(9)5-21-14-6-19/h2-4,6,10H,5H2,1H3,(H,14,19)
InChIKeyIGZXOPLCTUYSSG-UHFFFAOYSA-N
MW299.24 g/mol
LogP0.08
Rot. Bonds6

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

N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide (PubChem CID 130318265) has the molecular formula C11H11F2N5O3 and a molecular weight of 299.24 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
PubChem CID130318265
Molecular FormulaC11H11F2N5O3
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC NameN-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide
SMILESCn1nnn(-c2cccc(C(F)F)c2CONC=O)c1=O
InChIInChI=1S/C11H11F2N5O3/c1-17-11(20)18(16-15-17)9-4-2-3-7(10(12)13)8(9)5-21-14-6-19/h2-4,6,10H,5H2,1H3,(H,14,19)
InChIKeyIGZXOPLCTUYSSG-UHFFFAOYSA-N
XLogP0.08
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

1-(2-Methoxymethyl-3-methylphenyl)-4-methyl-1,4-dihydrotetrazol-5-one
CID 89881238
1-(2-Methoxymethyl-3-methylphenyl)-1,4-dihydrotetrazole-5-one
CID 136646210
1-(2-Hydroxymethyl-3-methyl-6-fluorophenyl)-4-methyl-1,4-dihydrotetrazole-5-one
CID 89875891
1-(2-Hydroxymethyl-3-methyl-4-fluorophenyl)-4-methyl-1,4-dihydrotetrazol-5-one
CID 89875945
1-[2-[[1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 90192754
N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide
CID 90192869
N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
CID 90192893
N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide
CID 90192896
methyl N-[[2-[[amino(methyl)carbamoyl]amino]-6-(trifluoromethyl)phenyl]methoxy]carbamate
CID 90192923
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazolidin-1-yl)phenyl]methoxy]formamide
CID 90192924
1-[3-(Difluoromethyl)-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986687
1-[3-Fluoro-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986688

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
The IUPAC name of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide (CID 130318265) is N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide.
What is the SMILES notation for N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
The canonical SMILES for N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-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-oxotetrazol-1-yl)phenyl]methoxy]formamide?
The InChIKey is IGZXOPLCTUYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O3/c1-17-11(20)18(16-15-17)9-4-2-3-7(10(12)13)8(9)5-21-14-6-19/h2-4,6,10H,5H2,1H3,(H,14,19).
What are the key properties of N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide?
N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide has a molecular weight of 299.24 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]formamide is sourced from PubChem (CID 130318265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).