(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide

C19H19Cl2N3O3 — CID 6016537

IUPAC(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O3/c1-12(9-18(25)22-17-11-14(20)5-8-16(17)21)23-24-19(26)10-13-3-6-15(27-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,24,26)/b23-12-
InChIKeyWJLGCQSBFBPDJH-FMCGGJTJSA-N
MW408.29 g/mol
LogP4.07
Rot. Bonds7

About (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide

(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 6016537) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID6016537
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(CC(=O)N/N=C(/C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O3/c1-12(9-18(25)22-17-11-14(20)5-8-16(17)21)23-24-19(26)10-13-3-6-15(27-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,24,26)/b23-12-
InChIKeyWJLGCQSBFBPDJH-FMCGGJTJSA-N
XLogP4.07
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.07
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-(2,4-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3919740
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 4306976
N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3996338
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
5-chloro-N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3634372
(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 17384502
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
4-chloro-N-[(E)-[4-(2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 7225178

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide (CID 6016537) is (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide is COc1ccc(CC(=O)N/N=C(/C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is WJLGCQSBFBPDJH-FMCGGJTJSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-12(9-18(25)22-17-11-14(20)5-8-16(17)21)23-24-19(26)10-13-3-6-15(27-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,24,26)/b23-12-.
What are the key properties of (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide?
(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 408.29 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 6016537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).