1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one

C19H17ClF2N2O — CID 72575899

IUPAC1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESCC(Cc1c(C)cc(F)cc1F)=NN=C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClF2N2O/c1-11-8-16(21)10-18(22)17(11)9-12(2)23-24-13(3)19(25)14-4-6-15(20)7-5-14/h4-8,10H,9H2,1-3H3
InChIKeyDEURTXVJRQFYHI-UHFFFAOYSA-N
MW362.81 g/mol
LogP5.19
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one

1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one (PubChem CID 72575899) has the molecular formula C19H17ClF2N2O and a molecular weight of 362.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
PubChem CID72575899
Molecular FormulaC19H17ClF2N2O
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESCC(Cc1c(C)cc(F)cc1F)=NN=C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClF2N2O/c1-11-8-16(21)10-18(22)17(11)9-12(2)23-24-13(3)19(25)14-4-6-15(20)7-5-14/h4-8,10H,9H2,1-3H3
InChIKeyDEURTXVJRQFYHI-UHFFFAOYSA-N
XLogP5.19
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.81
LogP ≤ 55.19
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

(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
CID 59463487
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
1-(4-chlorophenyl)-2-(2,4,6-trifluorophenyl)butane-1,3-dione
CID 86053587
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(E)-4-bromo-4-(4-chlorophenyl)-3-(4-fluorophenyl)but-3-en-2-one
CID 135240876
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one (CID 72575899) is 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one is CC(Cc1c(C)cc(F)cc1F)=NN=C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The InChIKey is DEURTXVJRQFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O/c1-11-8-16(21)10-18(22)17(11)9-12(2)23-24-13(3)19(25)14-4-6-15(20)7-5-14/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one has a molecular weight of 362.81 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[1-(2,4-difluoro-6-methylphenyl)propan-2-ylidenehydrazinylidene]propan-1-one is sourced from PubChem (CID 72575899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).