(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride

C13H9Cl2FN2 — CID 15117119

IUPAC(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESFc1cc(Cl)ccc1/C(Cl)=N/Nc1ccccc1
InChIInChI=1S/C13H9Cl2FN2/c14-9-6-7-11(12(16)8-9)13(15)18-17-10-4-2-1-3-5-10/h1-8,17H/b18-13-
InChIKeyDOMBVVYHLWUSHR-AQTBWJFISA-N
MW283.13 g/mol
LogP4.49
Rot. Bonds3

About (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride

(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 15117119) has the molecular formula C13H9Cl2FN2 and a molecular weight of 283.13 g/mol. Its IUPAC name is (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID15117119
Molecular FormulaC13H9Cl2FN2
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESFc1cc(Cl)ccc1/C(Cl)=N/Nc1ccccc1
InChIInChI=1S/C13H9Cl2FN2/c14-9-6-7-11(12(16)8-9)13(15)18-17-10-4-2-1-3-5-10/h1-8,17H/b18-13-
InChIKeyDOMBVVYHLWUSHR-AQTBWJFISA-N
XLogP4.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 54.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride (CID 15117119) is (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride is Fc1cc(Cl)ccc1/C(Cl)=N/Nc1ccccc1.
What is the InChIKey of (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is DOMBVVYHLWUSHR-AQTBWJFISA-N. The full InChI is InChI=1S/C13H9Cl2FN2/c14-9-6-7-11(12(16)8-9)13(15)18-17-10-4-2-1-3-5-10/h1-8,17H/b18-13-.
What are the key properties of (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 283.13 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 15117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).