N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C26H24FN3O5 — CID 27810224

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C26H24FN3O5/c27-19-6-3-17(4-7-19)23(29-9-12-34-13-10-29)15-28-24(31)18-5-8-21-22(14-18)26(33)30(25(21)32)16-20-2-1-11-35-20/h1-8,11,14,23H,9-10,12-13,15-16H2,(H,28,31)/t23-/m0/s1
InChIKeyPPYSKOKRBSERID-QHCPKHFHSA-N
MW477.49 g/mol
LogP3.02
Rot. Bonds7

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 27810224) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID27810224
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C26H24FN3O5/c27-19-6-3-17(4-7-19)23(29-9-12-34-13-10-29)15-28-24(31)18-5-8-21-22(14-18)26(33)30(25(21)32)16-20-2-1-11-35-20/h1-8,11,14,23H,9-10,12-13,15-16H2,(H,28,31)/t23-/m0/s1
InChIKeyPPYSKOKRBSERID-QHCPKHFHSA-N
XLogP3.02
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46647679
2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55658462
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 7394298
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30878238

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 27810224) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PPYSKOKRBSERID-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24FN3O5/c27-19-6-3-17(4-7-19)23(29-9-12-34-13-10-29)15-28-24(31)18-5-8-21-22(14-18)26(33)30(25(21)32)16-20-2-1-11-35-20/h1-8,11,14,23H,9-10,12-13,15-16H2,(H,28,31)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 27810224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).