(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide

C18H18ClN3O3 — CID 6387241

IUPAC(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
SMILESC/C(CC(=O)Nc1ccccc1)=N/NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-13(11-17(23)20-15-5-3-2-4-6-15)21-22-18(24)12-25-16-9-7-14(19)8-10-16/h2-10H,11-12H2,1H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyXHCLVWOGORFKOD-BKUYFWCQSA-N
MW359.81 g/mol
LogP3.24
Rot. Bonds7

About (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide

(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide (PubChem CID 6387241) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
PubChem CID6387241
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
SMILESC/C(CC(=O)Nc1ccccc1)=N/NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-13(11-17(23)20-15-5-3-2-4-6-15)21-22-18(24)12-25-16-9-7-14(19)8-10-16/h2-10H,11-12H2,1H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyXHCLVWOGORFKOD-BKUYFWCQSA-N
XLogP3.24
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.24
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-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
2-(4-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3636955
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]-N-naphthalen-2-ylbutanamide
CID 5067981
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390
(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 6142780

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide?
The IUPAC name of (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide (CID 6387241) is (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide.
What is the SMILES notation for (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide?
The canonical SMILES for (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide is C/C(CC(=O)Nc1ccccc1)=N/NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide?
The InChIKey is XHCLVWOGORFKOD-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-13(11-17(23)20-15-5-3-2-4-6-15)21-22-18(24)12-25-16-9-7-14(19)8-10-16/h2-10H,11-12H2,1H3,(H,20,23)(H,22,24)/b21-13-.
What are the key properties of (3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide?
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide has a molecular weight of 359.81 g/mol, XLogP of 3.24, 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-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide is sourced from PubChem (CID 6387241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).