N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide

C18H18FN3O3 — CID 15945779

IUPACN-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)COc1ccccc1
InChIInChI=1S/C18H18FN3O3/c1-13(11-17(23)20-15-9-7-14(19)8-10-15)21-22-18(24)12-25-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyGXXHKFQDWGHTHH-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.73
Rot. Bonds7

About N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide

N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide (PubChem CID 15945779) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
PubChem CID15945779
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)COc1ccccc1
InChIInChI=1S/C18H18FN3O3/c1-13(11-17(23)20-15-9-7-14(19)8-10-15)21-22-18(24)12-25-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyGXXHKFQDWGHTHH-UHFFFAOYSA-N
XLogP2.73
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6379598
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3636955
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
N-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-methoxybenzamide
CID 3129914
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3780148
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide (CID 15945779) is N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide is CC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)COc1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide?
The InChIKey is GXXHKFQDWGHTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-13(11-17(23)20-15-9-7-14(19)8-10-15)21-22-18(24)12-25-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide?
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide has a molecular weight of 343.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 15945779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).