N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

C18H17F5N2O4 — CID 19461514

IUPACN-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H17F5N2O4/c19-12-13(20)15(22)17(16(23)14(12)21)28-9-10-1-2-11(29-10)18(26)24-3-4-25-5-7-27-8-6-25/h1-2H,3-9H2,(H,24,26)
InChIKeyNDMIZDZUIUNGDN-UHFFFAOYSA-N
MW420.33 g/mol
LogP2.62
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19461514) has the molecular formula C18H17F5N2O4 and a molecular weight of 420.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19461514
Molecular FormulaC18H17F5N2O4
Molecular Weight420.33 g/mol
Exact Mass420.11
IUPAC NameN-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C18H17F5N2O4/c19-12-13(20)15(22)17(16(23)14(12)21)28-9-10-1-2-11(29-10)18(26)24-3-4-25-5-7-27-8-6-25/h1-2H,3-9H2,(H,24,26)
InChIKeyNDMIZDZUIUNGDN-UHFFFAOYSA-N
XLogP2.62
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461431
5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 20899284
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-(phenoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 43066958
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
N-[2-(4-nitropyrazol-1-yl)ethyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19281788
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 45106543
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19325807
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19295513
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 19461514) is N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is NDMIZDZUIUNGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2O4/c19-12-13(20)15(22)17(16(23)14(12)21)28-9-10-1-2-11(29-10)18(26)24-3-4-25-5-7-27-8-6-25/h1-2H,3-9H2,(H,24,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 420.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19461514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).