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

C23H19F5N2O4 — CID 19461431

IUPACN-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C23H19F5N2O4/c24-17-18(25)20(27)22(21(28)19(17)26)33-12-15-4-5-16(34-15)23(31)29-14-3-1-2-13(10-14)11-30-6-8-32-9-7-30/h1-5,10H,6-9,11-12H2,(H,29,31)
InChIKeyJMLZHSHTHLWHHN-UHFFFAOYSA-N
MW482.41 g/mol
LogP4.64
Rot. Bonds7

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

N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19461431) has the molecular formula C23H19F5N2O4 and a molecular weight of 482.41 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19461431
Molecular FormulaC23H19F5N2O4
Molecular Weight482.41 g/mol
Exact Mass482.13
IUPAC NameN-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
InChIInChI=1S/C23H19F5N2O4/c24-17-18(25)20(27)22(21(28)19(17)26)33-12-15-4-5-16(34-15)23(31)29-14-3-1-2-13(10-14)11-30-6-8-32-9-7-30/h1-5,10H,6-9,11-12H2,(H,29,31)
InChIKeyJMLZHSHTHLWHHN-UHFFFAOYSA-N
XLogP4.64
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 54.64
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-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19415760
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19458923
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19447085
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461514
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461470
N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459728
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19469497
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19410195
N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501220
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 19461431) is N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is JMLZHSHTHLWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N2O4/c24-17-18(25)20(27)22(21(28)19(17)26)33-12-15-4-5-16(34-15)23(31)29-14-3-1-2-13(10-14)11-30-6-8-32-9-7-30/h1-5,10H,6-9,11-12H2,(H,29,31).
What are the key properties of N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?
N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 482.41 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).