[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate

C21H12Cl5FN2O2 — CID 53433164

IUPAC[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate
SMILESNN=C(Cc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1F
InChIInChI=1S/C21H12Cl5FN2O2/c22-10-5-14(19(29-28)9-13-15(24)6-11(23)7-16(13)25)20(17(26)8-10)31-21(30)12-3-1-2-4-18(12)27/h1-8H,9,28H2
InChIKeyCJCVCLKWAARIKM-UHFFFAOYSA-N
MW520.60 g/mol
LogP7.22
Rot. Bonds5

About [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate

[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate (PubChem CID 53433164) has the molecular formula C21H12Cl5FN2O2 and a molecular weight of 520.60 g/mol. Its IUPAC name is [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate
PubChem CID53433164
Molecular FormulaC21H12Cl5FN2O2
Molecular Weight520.60 g/mol
Exact Mass517.93
IUPAC Name[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate
SMILESNN=C(Cc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1F
InChIInChI=1S/C21H12Cl5FN2O2/c22-10-5-14(19(29-28)9-13-15(24)6-11(23)7-16(13)25)20(17(26)8-10)31-21(30)12-3-1-2-4-18(12)27/h1-8H,9,28H2
InChIKeyCJCVCLKWAARIKM-UHFFFAOYSA-N
XLogP7.22
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate
CID 76844565
bis(2,4,6-trichlorophenyl) benzene-1,2-dicarboxylate
CID 54423741
(2,4,6-trichlorophenyl) 2-hydroxybenzoate
CID 23297410
[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium
CID 6340714
(2,4-dichloronaphthalen-1-yl) 2,4-difluorobenzoate
CID 91717057
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
(2,3-dichlorophenyl) 2-fluorobenzoate
CID 91711756
(4-bromo-2-chlorophenyl) 2-fluorobenzoate
CID 23011823
(2,3,4,5,6-pentafluorophenyl) 2-chlorobenzoate
CID 71348420
1-O-(2-chloro-6-fluorophenyl) 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91692765
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate (CID 53433164) is [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate is NN=C(Cc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1F.
What is the InChIKey of [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate?
The InChIKey is CJCVCLKWAARIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl5FN2O2/c22-10-5-14(19(29-28)9-13-15(24)6-11(23)7-16(13)25)20(17(26)8-10)31-21(30)12-3-1-2-4-18(12)27/h1-8H,9,28H2.
What are the key properties of [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate?
[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate has a molecular weight of 520.60 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 53433164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).