N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide

C17H13FN4O5 — CID 122303336

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13FN4O5/c1-9-15(21-16(23)13-7-8-14(26-13)22(24)25)10(2)20-17(19-9)27-12-6-4-3-5-11(12)18/h3-8H,1-2H3,(H,21,23)
InChIKeyYEEBFEFPABSTOA-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide (PubChem CID 122303336) has the molecular formula C17H13FN4O5 and a molecular weight of 372.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide
PubChem CID122303336
Molecular FormulaC17H13FN4O5
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13FN4O5/c1-9-15(21-16(23)13-7-8-14(26-13)22(24)25)10(2)20-17(19-9)27-12-6-4-3-5-11(12)18/h3-8H,1-2H3,(H,21,23)
InChIKeyYEEBFEFPABSTOA-UHFFFAOYSA-N
XLogP3.78
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,5-dinitrobenzamide
CID 122303565
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 122355959
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
(E)-3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]prop-2-enamide
CID 122303350
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide (CID 122303336) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide is Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is YEEBFEFPABSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O5/c1-9-15(21-16(23)13-7-8-14(26-13)22(24)25)10(2)20-17(19-9)27-12-6-4-3-5-11(12)18/h3-8H,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 372.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 122303336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).