(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one

C18H15ClF2N2O — CID 59463487

IUPAC(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESC/C(Cc1ccc(F)cc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF2N2O/c1-11(9-14-5-8-16(20)10-17(14)21)22-23-12(2)18(24)13-3-6-15(19)7-4-13/h3-8,10H,9H2,1-2H3/b22-11-,23-12-
InChIKeyQLYFDZGOXMFAOF-IHKZTNIUSA-N
MW348.78 g/mol
LogP4.88
Rot. Bonds5

About (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one

(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one (PubChem CID 59463487) has the molecular formula C18H15ClF2N2O and a molecular weight of 348.78 g/mol. Its IUPAC name is (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one.

Molecular Properties

Compound Name(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
PubChem CID59463487
Molecular FormulaC18H15ClF2N2O
Molecular Weight348.78 g/mol
Exact Mass348.08
IUPAC Name(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESC/C(Cc1ccc(F)cc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF2N2O/c1-11(9-14-5-8-16(20)10-17(14)21)22-23-12(2)18(24)13-3-6-15(19)7-4-13/h3-8,10H,9H2,1-2H3/b22-11-,23-12-
InChIKeyQLYFDZGOXMFAOF-IHKZTNIUSA-N
XLogP4.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
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1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
2-(2,4-difluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 79705234
2-(4-chloro-2-fluorophenyl)acetic acid
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CID 64560034
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one (CID 59463487) is (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one.
What is the SMILES notation for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The canonical SMILES for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one is C/C(Cc1ccc(F)cc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The InChIKey is QLYFDZGOXMFAOF-IHKZTNIUSA-N. The full InChI is InChI=1S/C18H15ClF2N2O/c1-11(9-14-5-8-16(20)10-17(14)21)22-23-12(2)18(24)13-3-6-15(19)7-4-13/h3-8,10H,9H2,1-2H3/b22-11-,23-12-.
What are the key properties of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one has a molecular weight of 348.78 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one is sourced from PubChem (CID 59463487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).