(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride

C14H6BrCl2F3N2 — CID 170665135

IUPAC(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride
SMILESFc1cc(F)cc(/C(Cl)=N/N=C(\Cl)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H6BrCl2F3N2/c15-8-1-2-11(12(20)5-8)14(17)22-21-13(16)7-3-9(18)6-10(19)4-7/h1-6H/b21-13-,22-14-
InChIKeyKIHJMOYYXBTKIG-JZTLMNBPSA-N
MW410.02 g/mol
LogP5.45
Rot. Bonds3

About (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride

(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride (PubChem CID 170665135) has the molecular formula C14H6BrCl2F3N2 and a molecular weight of 410.02 g/mol. Its IUPAC name is (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride
PubChem CID170665135
Molecular FormulaC14H6BrCl2F3N2
Molecular Weight410.02 g/mol
Exact Mass407.90
IUPAC Name(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride
SMILESFc1cc(F)cc(/C(Cl)=N/N=C(\Cl)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H6BrCl2F3N2/c15-8-1-2-11(12(20)5-8)14(17)22-21-13(16)7-3-9(18)6-10(19)4-7/h1-6H/b21-13-,22-14-
InChIKeyKIHJMOYYXBTKIG-JZTLMNBPSA-N
XLogP5.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.02
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene
CID 89112423
4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
CID 139748695
1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81242883
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
5-bromo-2-fluorobenzenecarbothioyl chloride
CID 135378967
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571

Frequently Asked Questions

What is the IUPAC name of (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride?
The IUPAC name of (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride (CID 170665135) is (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride?
The canonical SMILES for (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride is Fc1cc(F)cc(/C(Cl)=N/N=C(\Cl)c2ccc(Br)cc2F)c1.
What is the InChIKey of (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride?
The InChIKey is KIHJMOYYXBTKIG-JZTLMNBPSA-N. The full InChI is InChI=1S/C14H6BrCl2F3N2/c15-8-1-2-11(12(20)5-8)14(17)22-21-13(16)7-3-9(18)6-10(19)4-7/h1-6H/b21-13-,22-14-.
What are the key properties of (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride?
(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride has a molecular weight of 410.02 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 170665135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).