N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide

C22H25FN2O — CID 7428997

IUPACN-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
SMILESCCCCCC(/C=N\NC(=O)Cc1ccc(F)cc1)=C\c1ccccc1
InChIInChI=1S/C22H25FN2O/c1-2-3-5-10-20(15-18-8-6-4-7-9-18)17-24-25-22(26)16-19-11-13-21(23)14-12-19/h4,6-9,11-15,17H,2-3,5,10,16H2,1H3,(H,25,26)/b20-15+,24-17-
InChIKeyHBARVBASUBVJIF-PYECQWELSA-N
MW352.45 g/mol
LogP5.13
Rot. Bonds9

About N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide

N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide (PubChem CID 7428997) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
PubChem CID7428997
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
SMILESCCCCCC(/C=N\NC(=O)Cc1ccc(F)cc1)=C\c1ccccc1
InChIInChI=1S/C22H25FN2O/c1-2-3-5-10-20(15-18-8-6-4-7-9-18)17-24-25-22(26)16-19-11-13-21(23)14-12-19/h4,6-9,11-15,17H,2-3,5,10,16H2,1H3,(H,25,26)/b20-15+,24-17-
InChIKeyHBARVBASUBVJIF-PYECQWELSA-N
XLogP5.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
CID 7955494
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
CID 75460595
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
(2E)-2-[(4-fluorophenyl)methylidene]heptanal
CID 135262924

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide (CID 7428997) is N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide is CCCCCC(/C=N\NC(=O)Cc1ccc(F)cc1)=C\c1ccccc1.
What is the InChIKey of N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is HBARVBASUBVJIF-PYECQWELSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-2-3-5-10-20(15-18-8-6-4-7-9-18)17-24-25-22(26)16-19-11-13-21(23)14-12-19/h4,6-9,11-15,17H,2-3,5,10,16H2,1H3,(H,25,26)/b20-15+,24-17-.
What are the key properties of N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide?
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 352.45 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7428997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).