[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium

C19H17Cl2FNO+ — CID 8636811

IUPAC[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
SMILESFc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H16Cl2FNO/c20-14-5-7-16(17(21)11-14)19-8-6-15(24-19)12-23-10-9-13-3-1-2-4-18(13)22/h1-8,11,23H,9-10,12H2/p+1
InChIKeySHAXNHHQOBLLPJ-UHFFFAOYSA-O
MW365.26 g/mol
LogP4.70
Rot. Bonds6

About [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium

[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium (PubChem CID 8636811) has the molecular formula C19H17Cl2FNO+ and a molecular weight of 365.26 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
PubChem CID8636811
Molecular FormulaC19H17Cl2FNO+
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
SMILESFc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H16Cl2FNO/c20-14-5-7-16(17(21)11-14)19-8-6-15(24-19)12-23-10-9-13-3-1-2-4-18(13)22/h1-8,11,23H,9-10,12H2/p+1
InChIKeySHAXNHHQOBLLPJ-UHFFFAOYSA-O
XLogP4.70
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622208
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425234
(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium?
The IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium (CID 8636811) is [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium.
What is the SMILES notation for [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium?
The canonical SMILES for [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium is Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium?
The InChIKey is SHAXNHHQOBLLPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16Cl2FNO/c20-14-5-7-16(17(21)11-14)19-8-6-15(24-19)12-23-10-9-13-3-1-2-4-18(13)22/h1-8,11,23H,9-10,12H2/p+1.
What are the key properties of [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium?
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium has a molecular weight of 365.26 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 8636811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).