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

C20H19ClNO3+ — CID 8636553

IUPAC(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
SMILESCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-24-20(23)15-8-6-14(7-9-15)19-11-10-17(25-19)13-22-12-16-4-2-3-5-18(16)21/h2-11,22H,12-13H2,1H3/p+1
InChIKeyGATUGWISHPHGLS-UHFFFAOYSA-O
MW356.83 g/mol
LogP3.65
Rot. Bonds6

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

(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium (PubChem CID 8636553) has the molecular formula C20H19ClNO3+ and a molecular weight of 356.83 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
PubChem CID8636553
Molecular FormulaC20H19ClNO3+
Molecular Weight356.83 g/mol
Exact Mass356.10
IUPAC Name(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
SMILESCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-24-20(23)15-8-6-14(7-9-15)19-11-10-17(25-19)13-22-12-16-4-2-3-5-18(16)21/h2-11,22H,12-13H2,1H3/p+1
InChIKeyGATUGWISHPHGLS-UHFFFAOYSA-O
XLogP3.65
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium with MolForge

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Related Compounds

methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
[(2R)-2-hydroxypropyl]-[2-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylazaniumyl]ethyl]azanium
CID 8637015
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636896
[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium
CID 8617875
1-adamantyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636389
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 4-[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]benzoate
CID 8636505
[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-[(4-fluorophenyl)methyl]azanium
CID 8638734
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium (CID 8636553) is (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium is COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1.
What is the InChIKey of (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium?
The InChIKey is GATUGWISHPHGLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18ClNO3/c1-24-20(23)15-8-6-14(7-9-15)19-11-10-17(25-19)13-22-12-16-4-2-3-5-18(16)21/h2-11,22H,12-13H2,1H3/p+1.
What are the key properties of (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium?
(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium has a molecular weight of 356.83 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8636553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).