[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate

C15H10Cl2F2N2O3 — CID 19292177

IUPAC[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate
SMILESN/C(=N\OC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F2N2O3/c16-8-5-6-9(11(17)7-8)13(20)21-24-14(22)10-3-1-2-4-12(10)23-15(18)19/h1-7,15H,(H2,20,21)
InChIKeyKDFGRZVSJHGAOB-UHFFFAOYSA-N
MW375.16 g/mol
LogP4.07
Rot. Bonds5

About [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate

[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate (PubChem CID 19292177) has the molecular formula C15H10Cl2F2N2O3 and a molecular weight of 375.16 g/mol. Its IUPAC name is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate
PubChem CID19292177
Molecular FormulaC15H10Cl2F2N2O3
Molecular Weight375.16 g/mol
Exact Mass374.00
IUPAC Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate
SMILESN/C(=N\OC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F2N2O3/c16-8-5-6-9(11(17)7-8)13(20)21-24-14(22)10-3-1-2-4-12(10)23-15(18)19/h1-7,15H,(H2,20,21)
InChIKeyKDFGRZVSJHGAOB-UHFFFAOYSA-N
XLogP4.07
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate?
The IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate (CID 19292177) is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate is N/C(=N\OC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate?
The InChIKey is KDFGRZVSJHGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2O3/c16-8-5-6-9(11(17)7-8)13(20)21-24-14(22)10-3-1-2-4-12(10)23-15(18)19/h1-7,15H,(H2,20,21).
What are the key properties of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate?
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate has a molecular weight of 375.16 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 19292177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).