(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one

C18H15ClF2N2O — CID 59463494

IUPAC(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESC/C(Cc1c(F)cccc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF2N2O/c1-11(10-15-16(20)4-3-5-17(15)21)22-23-12(2)18(24)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3/b22-11-,23-12-
InChIKeyNQURUPBJCVBAFC-IHKZTNIUSA-N
MW348.78 g/mol
LogP4.88
Rot. Bonds5

About (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one

(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one (PubChem CID 59463494) 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-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one.

Molecular Properties

Compound Name(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
PubChem CID59463494
Molecular FormulaC18H15ClF2N2O
Molecular Weight348.78 g/mol
Exact Mass348.08
IUPAC Name(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESC/C(Cc1c(F)cccc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF2N2O/c1-11(10-15-16(20)4-3-5-17(15)21)22-23-12(2)18(24)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3/b22-11-,23-12-
InChIKeyNQURUPBJCVBAFC-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one (CID 59463494) is (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one.
What is the SMILES notation for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The canonical SMILES for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one is C/C(Cc1c(F)cccc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The InChIKey is NQURUPBJCVBAFC-IHKZTNIUSA-N. The full InChI is InChI=1S/C18H15ClF2N2O/c1-11(10-15-16(20)4-3-5-17(15)21)22-23-12(2)18(24)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3/b22-11-,23-12-.
What are the key properties of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,6-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-(2,6-difluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one is sourced from PubChem (CID 59463494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).