N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C18H12F2N2O5 — CID 36705158

IUPACN-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H12F2N2O5/c19-11-1-4-13(5-2-11)26-10-14-6-8-17(27-14)18(23)21-12-3-7-15(20)16(9-12)22(24)25/h1-9H,10H2,(H,21,23)
InChIKeyOBUFJSYLNRFNKS-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.30
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 36705158) has the molecular formula C18H12F2N2O5 and a molecular weight of 374.30 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID36705158
Molecular FormulaC18H12F2N2O5
Molecular Weight374.30 g/mol
Exact Mass374.07
IUPAC NameN-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H12F2N2O5/c19-11-1-4-13(5-2-11)26-10-14-6-8-17(27-14)18(23)21-12-3-7-15(20)16(9-12)22(24)25/h1-9H,10H2,(H,21,23)
InChIKeyOBUFJSYLNRFNKS-UHFFFAOYSA-N
XLogP4.30
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31633710
5-[(4-ethoxyphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19413374
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31666110
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 36705158) is N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is OBUFJSYLNRFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O5/c19-11-1-4-13(5-2-11)26-10-14-6-8-17(27-14)18(23)21-12-3-7-15(20)16(9-12)22(24)25/h1-9H,10H2,(H,21,23).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 374.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 36705158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).