[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium

C15H12Cl2FN2O2+ — CID 6340714

IUPAC[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium
SMILESNC(Cc1ccc(Cl)cc1Cl)=[NH+]OC(=O)c1ccccc1F
InChIInChI=1S/C15H11Cl2FN2O2/c16-10-6-5-9(12(17)8-10)7-14(19)20-22-15(21)11-3-1-2-4-13(11)18/h1-6,8H,7H2,(H2,19,20)/p+1
InChIKeyYAQYUYOUMZCIBX-UHFFFAOYSA-O
MW342.18 g/mol
LogP1.88
Rot. Bonds4

About [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium

[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium (PubChem CID 6340714) has the molecular formula C15H12Cl2FN2O2+ and a molecular weight of 342.18 g/mol. Its IUPAC name is [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium.

Molecular Properties

Compound Name[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium
PubChem CID6340714
Molecular FormulaC15H12Cl2FN2O2+
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium
SMILESNC(Cc1ccc(Cl)cc1Cl)=[NH+]OC(=O)c1ccccc1F
InChIInChI=1S/C15H11Cl2FN2O2/c16-10-6-5-9(12(17)8-10)7-14(19)20-22-15(21)11-3-1-2-4-13(11)18/h1-6,8H,7H2,(H2,19,20)/p+1
InChIKeyYAQYUYOUMZCIBX-UHFFFAOYSA-O
XLogP1.88
TPSA66.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951
(2,4-dichlorophenyl)methyl 2-(2-cyanophenyl)benzoate
CID 7520296
[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate
CID 76844565
[2,4-dichloro-6-[2-(2,4,6-trichlorophenyl)ethanehydrazonoyl]phenyl] 2-fluorobenzoate
CID 53433164
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium
CID 6999882
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 55401370

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium?
The IUPAC name of [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium (CID 6340714) is [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium.
What is the SMILES notation for [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium?
The canonical SMILES for [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium is NC(Cc1ccc(Cl)cc1Cl)=[NH+]OC(=O)c1ccccc1F.
What is the InChIKey of [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium?
The InChIKey is YAQYUYOUMZCIBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11Cl2FN2O2/c16-10-6-5-9(12(17)8-10)7-14(19)20-22-15(21)11-3-1-2-4-13(11)18/h1-6,8H,7H2,(H2,19,20)/p+1.
What are the key properties of [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium?
[1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium has a molecular weight of 342.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(2,4-dichlorophenyl)ethylidene]-(2-fluorobenzoyl)oxyazanium is sourced from PubChem (CID 6340714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).