N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

C18H18FN3O2 — CID 6026121

IUPACN'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)N/N=C\c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C18H18FN3O2/c19-16-8-6-15(7-9-16)13-21-22-18(24)12-17(23)20-11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23)(H,22,24)/b21-13-
InChIKeySUTMEGIFKOLYJY-BKUYFWCQSA-N
MW327.36 g/mol
LogP2.02
Rot. Bonds7

About N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (PubChem CID 6026121) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
PubChem CID6026121
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)N/N=C\c1ccc(F)cc1)NCCc1ccccc1
InChIInChI=1S/C18H18FN3O2/c19-16-8-6-15(7-9-16)13-21-22-18(24)12-17(23)20-11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23)(H,22,24)/b21-13-
InChIKeySUTMEGIFKOLYJY-BKUYFWCQSA-N
XLogP2.02
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
N'~1~,N'~3~-bis[(E)-(4-fluorophenyl)methylidene]propanedihydrazide
CID 6884417
N-cyclohexyl-2-{N'-[(E)-(4-isopropylphenyl)methylidene]hydrazinecarbonyl}acetamide
CID 9563176
N-allyl-3-[2-(2-fluorobenzylidene)hydrazino]-3-oxopropanamide
CID 5334645
3-[2-(4-fluorobenzylidene)hydrazino]-N-isopropyl-3-oxopropanamide
CID 5335192
(E)-N-(6-(2-(4-fluorobenzylidene)hydrazinyl)-6-oxohexyl)benzamide
CID 6893419
2-(Benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563175
N'-benzylidene-2-oxo-3-piperidinecarbohydrazide
CID 9566843
2-(4-Fluoro-benzylidene-hydrazinocarbonyl)-N-isobutyl-acetamide
CID 9591591
2-(2-Chloro-6-fluoro-benzylidene-hydrazinocarbonyl)-N-phenethyl-acetamide
CID 9594313
N-allyl-3-[2-(3-methylbenzylidene)hydrazino]-3-oxopropanamide
CID 9725894
N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-oxo-6-phenylpyridazine-4-carboxamide
CID 137650977

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (CID 6026121) is N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is O=C(CC(=O)N/N=C\c1ccc(F)cc1)NCCc1ccccc1.
What is the InChIKey of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The InChIKey is SUTMEGIFKOLYJY-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-16-8-6-15(7-9-16)13-21-22-18(24)12-17(23)20-11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,23)(H,22,24)/b21-13-.
What are the key properties of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide has a molecular weight of 327.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 6026121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).