(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide

C19H17BrF3N3O3 — CID 6175992

IUPAC(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESC/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C19H17BrF3N3O3/c1-12(25-26-18(28)11-29-16-7-5-14(20)6-8-16)9-17(27)24-15-4-2-3-13(10-15)19(21,22)23/h2-8,10H,9,11H2,1H3,(H,24,27)(H,26,28)/b25-12-
InChIKeyOSOYNVONBGDQDZ-ROTLSHHCSA-N
MW472.26 g/mol
LogP4.37
Rot. Bonds7

About (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide

(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 6175992) has the molecular formula C19H17BrF3N3O3 and a molecular weight of 472.26 g/mol. Its IUPAC name is (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID6175992
Molecular FormulaC19H17BrF3N3O3
Molecular Weight472.26 g/mol
Exact Mass471.04
IUPAC Name(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESC/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C19H17BrF3N3O3/c1-12(25-26-18(28)11-29-16-7-5-14(20)6-8-16)9-17(27)24-15-4-2-3-13(10-15)19(21,22)23/h2-8,10H,9,11H2,1H3,(H,24,27)(H,26,28)/b25-12-
InChIKeyOSOYNVONBGDQDZ-ROTLSHHCSA-N
XLogP4.37
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.26
LogP ≤ 54.37
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

2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
4-bromo-N-[(Z)-[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 6012087
3-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 4587745
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
3-(formylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 3396370
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
2-hydroxy-3-methyl-N-[[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 2889180
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 4187201
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide (CID 6175992) is (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide is C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is OSOYNVONBGDQDZ-ROTLSHHCSA-N. The full InChI is InChI=1S/C19H17BrF3N3O3/c1-12(25-26-18(28)11-29-16-7-5-14(20)6-8-16)9-17(27)24-15-4-2-3-13(10-15)19(21,22)23/h2-8,10H,9,11H2,1H3,(H,24,27)(H,26,28)/b25-12-.
What are the key properties of (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide?
(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 472.26 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 6175992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).