5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide

C19H13F2N3O7 — CID 19453273

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
SMILESCc1c([N+](=O)[O-])cc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H13F2N3O7/c1-10-15(23(26)27)7-12(8-16(10)24(28)29)22-19(25)18-5-3-13(31-18)9-30-17-4-2-11(20)6-14(17)21/h2-8H,9H2,1H3,(H,22,25)
InChIKeySKUYYAXOLNJRRY-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.51
Rot. Bonds7

About 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide (PubChem CID 19453273) has the molecular formula C19H13F2N3O7 and a molecular weight of 433.32 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
PubChem CID19453273
Molecular FormulaC19H13F2N3O7
Molecular Weight433.32 g/mol
Exact Mass433.07
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
SMILESCc1c([N+](=O)[O-])cc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H13F2N3O7/c1-10-15(23(26)27)7-12(8-16(10)24(28)29)22-19(25)18-5-3-13(31-18)9-30-17-4-2-11(20)6-14(17)21/h2-8H,9H2,1H3,(H,22,25)
InChIKeySKUYYAXOLNJRRY-UHFFFAOYSA-N
XLogP4.51
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.51
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-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
5-[(2,4-difluorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19453214
5-[(4-ethoxyphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19413374
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
CID 19484018
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 36705158
5-[(2,4-difluorophenoxy)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35336375
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19453050
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19452993
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
5-[(2,4-difluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 4865246
5-[(2,4-difluorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19453344

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide (CID 19453273) is 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide is Cc1c([N+](=O)[O-])cc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide?
The InChIKey is SKUYYAXOLNJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O7/c1-10-15(23(26)27)7-12(8-16(10)24(28)29)22-19(25)18-5-3-13(31-18)9-30-17-4-2-11(20)6-14(17)21/h2-8H,9H2,1H3,(H,22,25).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19453273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).