(3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one

C16H12Cl2FNO2 — CID 6074441

IUPAC(3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(C/C=N\OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H12Cl2FNO2/c17-13-4-1-12(15(18)9-13)10-22-20-8-7-16(21)11-2-5-14(19)6-3-11/h1-6,8-9H,7,10H2/b20-8-
InChIKeyUPWABMACKSSMEA-ZBKNUEDVSA-N
MW340.18 g/mol
LogP4.91
Rot. Bonds6

About (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one

(3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 6074441) has the molecular formula C16H12Cl2FNO2 and a molecular weight of 340.18 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one
PubChem CID6074441
Molecular FormulaC16H12Cl2FNO2
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name(3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(C/C=N\OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H12Cl2FNO2/c17-13-4-1-12(15(18)9-13)10-22-20-8-7-16(21)11-2-5-14(19)6-3-11/h1-6,8-9H,7,10H2/b20-8-
InChIKeyUPWABMACKSSMEA-ZBKNUEDVSA-N
XLogP4.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one (CID 6074441) is (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one is O=C(C/C=N\OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is UPWABMACKSSMEA-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H12Cl2FNO2/c17-13-4-1-12(15(18)9-13)10-22-20-8-7-16(21)11-2-5-14(19)6-3-11/h1-6,8-9H,7,10H2/b20-8-.
What are the key properties of (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one?
(3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 340.18 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 6074441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).