1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one

C26H31FN2O — CID 142946196

IUPAC1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one
SMILESCCC/C=C(\N=C/C=C(\C)c1ccc(F)cc1)Nc1ccc(C(=O)CCCC)cc1
InChIInChI=1S/C26H31FN2O/c1-4-6-8-25(30)22-12-16-24(17-13-22)29-26(9-7-5-2)28-19-18-20(3)21-10-14-23(27)15-11-21/h9-19,29H,4-8H2,1-3H3/b20-18+,26-9+,28-19-
InChIKeyCOUNNLLMHBBOPO-QJEXGDBCSA-N
MW406.55 g/mol
LogP7.43
Rot. Bonds11

About 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one

1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one (PubChem CID 142946196) has the molecular formula C26H31FN2O and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one
PubChem CID142946196
Molecular FormulaC26H31FN2O
Molecular Weight406.55 g/mol
Exact Mass406.24
IUPAC Name1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one
SMILESCCC/C=C(\N=C/C=C(\C)c1ccc(F)cc1)Nc1ccc(C(=O)CCCC)cc1
InChIInChI=1S/C26H31FN2O/c1-4-6-8-25(30)22-12-16-24(17-13-22)29-26(9-7-5-2)28-19-18-20(3)21-10-14-23(27)15-11-21/h9-19,29H,4-8H2,1-3H3/b20-18+,26-9+,28-19-
InChIKeyCOUNNLLMHBBOPO-QJEXGDBCSA-N
XLogP7.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one with MolForge

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Related Compounds

N-(4-nonanoylphenyl)acetamide
CID 65449309
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
CID 143185274
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-3-[[4-oxo-4-(4-pentylphenyl)butanoyl]amino]thiourea
CID 9469515
4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
N-[(4-fluorophenyl)carbamothioyl]tetradecanamide
CID 54792031
1-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)prop-1-enyl]iminopropan-1-one;methyl pentanoate
CID 171623375
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
CID 144683991
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one?
The IUPAC name of 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one (CID 142946196) is 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one.
What is the SMILES notation for 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one?
The canonical SMILES for 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one is CCC/C=C(\N=C/C=C(\C)c1ccc(F)cc1)Nc1ccc(C(=O)CCCC)cc1.
What is the InChIKey of 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one?
The InChIKey is COUNNLLMHBBOPO-QJEXGDBCSA-N. The full InChI is InChI=1S/C26H31FN2O/c1-4-6-8-25(30)22-12-16-24(17-13-22)29-26(9-7-5-2)28-19-18-20(3)21-10-14-23(27)15-11-21/h9-19,29H,4-8H2,1-3H3/b20-18+,26-9+,28-19-.
What are the key properties of 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one?
1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one has a molecular weight of 406.55 g/mol, XLogP of 7.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(Z)-1-[(Z)-[(E)-3-(4-fluorophenyl)but-2-enylidene]amino]pent-1-enyl]amino]phenyl]pentan-1-one is sourced from PubChem (CID 142946196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).