(2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide

C16H13Cl3N4O2 — CID 136702287

IUPAC(2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide
SMILESCC(=N/Nc1c(Cl)cc(Cl)cc1Cl)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H13Cl3N4O2/c1-9(21-22-15-12(18)7-10(17)8-13(15)19)14(23-25)16(24)20-11-5-3-2-4-6-11/h2-8,22,25H,1H3,(H,20,24)/b21-9-,23-14-
InChIKeyDJVLXJACVCBSDA-WQQYHLGKSA-N
MW399.67 g/mol
LogP4.90
Rot. Bonds5

About (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide

(2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide (PubChem CID 136702287) has the molecular formula C16H13Cl3N4O2 and a molecular weight of 399.67 g/mol. Its IUPAC name is (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide
PubChem CID136702287
Molecular FormulaC16H13Cl3N4O2
Molecular Weight399.67 g/mol
Exact Mass398.01
IUPAC Name(2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide
SMILESCC(=N/Nc1c(Cl)cc(Cl)cc1Cl)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H13Cl3N4O2/c1-9(21-22-15-12(18)7-10(17)8-13(15)19)14(23-25)16(24)20-11-5-3-2-4-6-11/h2-8,22,25H,1H3,(H,20,24)/b21-9-,23-14-
InChIKeyDJVLXJACVCBSDA-WQQYHLGKSA-N
XLogP4.90
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide?
The IUPAC name of (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide (CID 136702287) is (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide.
What is the SMILES notation for (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide?
The canonical SMILES for (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide is CC(=N/Nc1c(Cl)cc(Cl)cc1Cl)/C(=N/O)C(=O)Nc1ccccc1.
What is the InChIKey of (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide?
The InChIKey is DJVLXJACVCBSDA-WQQYHLGKSA-N. The full InChI is InChI=1S/C16H13Cl3N4O2/c1-9(21-22-15-12(18)7-10(17)8-13(15)19)14(23-25)16(24)20-11-5-3-2-4-6-11/h2-8,22,25H,1H3,(H,20,24)/b21-9-,23-14-.
What are the key properties of (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide?
(2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide has a molecular weight of 399.67 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-hydroxyimino-N-phenyl-3-[(2,4,6-trichlorophenyl)hydrazinylidene]butanamide is sourced from PubChem (CID 136702287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).