N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C26H25FN2O — CID 56692976

IUPACN-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCCC/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O/c1-2-9-24(19-14-16-22(27)17-15-19)28-29-25(30)23-18-26(23,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-17,23H,2,9,18H2,1H3,(H,29,30)/b28-24+
InChIKeyNPNRRIYAGDYTFD-ZZIIXHQDSA-N
MW400.50 g/mol
LogP5.45
Rot. Bonds7

About N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 56692976) has the molecular formula C26H25FN2O and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID56692976
Molecular FormulaC26H25FN2O
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC NameN-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCCC/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O/c1-2-9-24(19-14-16-22(27)17-15-19)28-29-25(30)23-18-26(23,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-17,23H,2,9,18H2,1H3,(H,29,30)/b28-24+
InChIKeyNPNRRIYAGDYTFD-ZZIIXHQDSA-N
XLogP5.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 56692976) is N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is CCC/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is NPNRRIYAGDYTFD-ZZIIXHQDSA-N. The full InChI is InChI=1S/C26H25FN2O/c1-2-9-24(19-14-16-22(27)17-15-19)28-29-25(30)23-18-26(23,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-17,23H,2,9,18H2,1H3,(H,29,30)/b28-24+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 56692976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).