N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide

C24H24FN3O2 — CID 6258282

IUPACN-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O2/c25-22-10-8-19(9-11-22)24(29)27-26-17-21-7-6-20(16-18-4-2-1-3-5-18)23(21)28-12-14-30-15-13-28/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,29)/b20-16+,26-17-
InChIKeyFSHRNGKZGYKYIJ-JSUKULMQSA-N
MW405.47 g/mol
LogP4.01
Rot. Bonds5

About N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide

N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide (PubChem CID 6258282) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide
PubChem CID6258282
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O2/c25-22-10-8-19(9-11-22)24(29)27-26-17-21-7-6-20(16-18-4-2-1-3-5-18)23(21)28-12-14-30-15-13-28/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,29)/b20-16+,26-17-
InChIKeyFSHRNGKZGYKYIJ-JSUKULMQSA-N
XLogP4.01
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide (CID 6258282) is N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide is O=C(N/N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide?
The InChIKey is FSHRNGKZGYKYIJ-JSUKULMQSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-22-10-8-19(9-11-22)24(29)27-26-17-21-7-6-20(16-18-4-2-1-3-5-18)23(21)28-12-14-30-15-13-28/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,29)/b20-16+,26-17-.
What are the key properties of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide?
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide has a molecular weight of 405.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6258282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).