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

C18H15Cl3NO+ — CID 8636558

IUPAC(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
SMILESClc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)c(Cl)c1
InChIInChI=1S/C18H14Cl3NO/c19-13-5-7-15(17(21)9-13)18-8-6-14(23-18)11-22-10-12-3-1-2-4-16(12)20/h1-9,22H,10-11H2/p+1
InChIKeyFBGRPAFMTUAQJZ-UHFFFAOYSA-O
MW367.68 g/mol
LogP5.17
Rot. Bonds5

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

(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8636558) has the molecular formula C18H15Cl3NO+ and a molecular weight of 367.68 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
PubChem CID8636558
Molecular FormulaC18H15Cl3NO+
Molecular Weight367.68 g/mol
Exact Mass366.02
IUPAC Name(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
SMILESClc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)c(Cl)c1
InChIInChI=1S/C18H14Cl3NO/c19-13-5-7-15(17(21)9-13)18-8-6-14(23-18)11-22-10-12-3-1-2-4-16(12)20/h1-9,22H,10-11H2/p+1
InChIKeyFBGRPAFMTUAQJZ-UHFFFAOYSA-O
XLogP5.17
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.68
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium 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

(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425234
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7394284
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
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
(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636553
3-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 142697356

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium (CID 8636558) is (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium is Clc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)c(Cl)c1.
What is the InChIKey of (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is FBGRPAFMTUAQJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14Cl3NO/c19-13-5-7-15(17(21)9-13)18-8-6-14(23-18)11-22-10-12-3-1-2-4-16(12)20/h1-9,22H,10-11H2/p+1.
What are the key properties of (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium?
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 367.68 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8636558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).