N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

C22H20F4N2O3 — CID 2165261

IUPACN-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)cc1
InChIInChI=1S/C22H20F4N2O3/c1-3-28(4-2)14-7-5-13(6-8-14)27-22(29)18-10-9-15(31-18)12-30-21-19(25)16(23)11-17(24)20(21)26/h5-11H,3-4,12H2,1-2H3,(H,27,29)
InChIKeyYROFIQQECYGMJN-UHFFFAOYSA-N
MW436.41 g/mol
LogP5.51
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 2165261) has the molecular formula C22H20F4N2O3 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID2165261
Molecular FormulaC22H20F4N2O3
Molecular Weight436.41 g/mol
Exact Mass436.14
IUPAC NameN-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)cc1
InChIInChI=1S/C22H20F4N2O3/c1-3-28(4-2)14-7-5-13(6-8-14)27-22(29)18-10-9-15(31-18)12-30-21-19(25)16(23)11-17(24)20(21)26/h5-11H,3-4,12H2,1-2H3,(H,27,29)
InChIKeyYROFIQQECYGMJN-UHFFFAOYSA-N
XLogP5.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.41
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-ethyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457368
N-propan-2-yl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457280
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457206
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
N-(4-ethoxy-2-nitrophenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457263
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19410195

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (CID 2165261) is N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is YROFIQQECYGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O3/c1-3-28(4-2)14-7-5-13(6-8-14)27-22(29)18-10-9-15(31-18)12-30-21-19(25)16(23)11-17(24)20(21)26/h5-11H,3-4,12H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 2165261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).