3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide

C19H20BrN3O3 — CID 3715044

IUPAC3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)=NNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O3/c1-13(12-18(24)21-16-6-4-3-5-7-16)22-23-19(25)14(2)26-17-10-8-15(20)9-11-17/h3-11,14H,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyCUUPJNOGCWCJOB-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.74
Rot. Bonds7

About 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide

3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide (PubChem CID 3715044) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide.

Molecular Properties

Compound Name3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide
PubChem CID3715044
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)=NNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O3/c1-13(12-18(24)21-16-6-4-3-5-7-16)22-23-19(25)14(2)26-17-10-8-15(20)9-11-17/h3-11,14H,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyCUUPJNOGCWCJOB-UHFFFAOYSA-N
XLogP3.74
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.74
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

N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 40521153
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide?
The IUPAC name of 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide (CID 3715044) is 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide.
What is the SMILES notation for 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide?
The canonical SMILES for 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide is CC(CC(=O)Nc1ccccc1)=NNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide?
The InChIKey is CUUPJNOGCWCJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-13(12-18(24)21-16-6-4-3-5-7-16)22-23-19(25)14(2)26-17-10-8-15(20)9-11-17/h3-11,14H,12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide?
3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide has a molecular weight of 418.29 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide is sourced from PubChem (CID 3715044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).