N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide

C19H20FN3O2 — CID 7534633

IUPACN-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
SMILESCC/C(=N\NC(=O)CCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H20FN3O2/c1-2-17(14-6-4-3-5-7-14)22-23-19(25)13-12-18(24)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H,23,25)/b22-17+
InChIKeyKAVWPXZJULYSQZ-OQKWZONESA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds7

About N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide (PubChem CID 7534633) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
PubChem CID7534633
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
SMILESCC/C(=N\NC(=O)CCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H20FN3O2/c1-2-17(14-6-4-3-5-7-14)22-23-19(25)13-12-18(24)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H,23,25)/b22-17+
InChIKeyKAVWPXZJULYSQZ-OQKWZONESA-N
XLogP3.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
CID 6034251
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
N-(2,4-dimethylphenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3462359
N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
CID 6122698
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide (CID 7534633) is N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide is CC/C(=N\NC(=O)CCC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide?
The InChIKey is KAVWPXZJULYSQZ-OQKWZONESA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-17(14-6-4-3-5-7-14)22-23-19(25)13-12-18(24)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H,23,25)/b22-17+.
What are the key properties of N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide is sourced from PubChem (CID 7534633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).