(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate

C17H13BrFN2O3- — CID 7720791

IUPAC(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate
SMILESO=C([O-])CC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O3/c18-13-5-1-11(2-6-13)15(9-10-16(22)23)20-21-17(24)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,24)(H,22,23)/p-1/b20-15-
InChIKeyJQSAFDVRDYIAQC-HKWRFOASSA-M
MW392.20 g/mol
LogP2.25
Rot. Bonds6

About (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate

(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate (PubChem CID 7720791) has the molecular formula C17H13BrFN2O3- and a molecular weight of 392.20 g/mol. Its IUPAC name is (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Name(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate
PubChem CID7720791
Molecular FormulaC17H13BrFN2O3-
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC Name(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate
SMILESO=C([O-])CC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN2O3/c18-13-5-1-11(2-6-13)15(9-10-16(22)23)20-21-17(24)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,24)(H,22,23)/p-1/b20-15-
InChIKeyJQSAFDVRDYIAQC-HKWRFOASSA-M
XLogP2.25
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
(4Z)-4-(4-bromophenyl)-4-(2-methoxyethylcarbamothioylhydrazinylidene)butanoate
CID 8978967
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 6001763
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate
CID 7987082
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
CID 9241838

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate?
The IUPAC name of (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate (CID 7720791) is (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate.
What is the SMILES notation for (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate?
The canonical SMILES for (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate is O=C([O-])CC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate?
The InChIKey is JQSAFDVRDYIAQC-HKWRFOASSA-M. The full InChI is InChI=1S/C17H14BrFN2O3/c18-13-5-1-11(2-6-13)15(9-10-16(22)23)20-21-17(24)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,24)(H,22,23)/p-1/b20-15-.
What are the key properties of (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate?
(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate has a molecular weight of 392.20 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate is sourced from PubChem (CID 7720791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).