N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride

C13H9Cl3FN2OP — CID 54495750

IUPACN-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESO=P(Cl)(Cl)N(N=C(Cl)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H9Cl3FN2OP/c14-13(10-6-8-11(17)9-7-10)18-19(21(15,16)20)12-4-2-1-3-5-12/h1-9H
InChIKeyXYYQNDBAVBYNOO-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.82
Rot. Bonds4

About N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride

N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 54495750) has the molecular formula C13H9Cl3FN2OP and a molecular weight of 365.56 g/mol. Its IUPAC name is N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID54495750
Molecular FormulaC13H9Cl3FN2OP
Molecular Weight365.56 g/mol
Exact Mass363.95
IUPAC NameN-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESO=P(Cl)(Cl)N(N=C(Cl)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H9Cl3FN2OP/c14-13(10-6-8-11(17)9-7-10)18-19(21(15,16)20)12-4-2-1-3-5-12/h1-9H
InChIKeyXYYQNDBAVBYNOO-UHFFFAOYSA-N
XLogP5.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.82
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Phenylbenzenecarbohydrazonoyl chloride
CID 7290563
Benzoyl chloride, p-fluoro-, phenylhydrazone
CID 9570439
Benzoyl chloride phenylhydrazone
CID 27278
N(2,3,4,5,6-pentafluro-benzimidoyl chloride)Phenylamine
CID 12730131
Benzoyl chloride perfluorophenylhydrazone
CID 129796037
(1Z)-N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 176426560
(Z)-N-(4-fluorophenyl)benzenecarbohydrazonoyl chloride
CID 176426564
((1Z)-2-chloro-2-phenyl-1-azavinyl)(2,3,4,5,6-pentafluorophenyl)amine
CID 9675432
4-Fluoro-N-phenylbenzenecarbohydrazonoyl chloride
CID 33245
N-(4-fluorophenyl)-benzimidoyl chloride
CID 12935376
(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
CID 15117050
(1Z)-4-chloro-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
CID 15117119

Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride (CID 54495750) is N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride is O=P(Cl)(Cl)N(N=C(Cl)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is XYYQNDBAVBYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN2OP/c14-13(10-6-8-11(17)9-7-10)18-19(21(15,16)20)12-4-2-1-3-5-12/h1-9H.
What are the key properties of N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 365.56 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 54495750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).