[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C20H22ClN2O3+ — CID 8921213

IUPAC[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccco1
InChIInChI=1S/C20H21ClN2O3/c1-14(18-4-3-11-25-18)22-12-20(24)23(2)13-17-9-10-19(26-17)15-5-7-16(21)8-6-15/h3-11,14,22H,12-13H2,1-2H3/p+1/t14-/m0/s1
InChIKeyGCJCMGXBSVBNTH-AWEZNQCLSA-O
MW373.86 g/mol
LogP3.48
Rot. Bonds7

About [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8921213) has the molecular formula C20H22ClN2O3+ and a molecular weight of 373.86 g/mol. Its IUPAC name is [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8921213
Molecular FormulaC20H22ClN2O3+
Molecular Weight373.86 g/mol
Exact Mass373.13
IUPAC Name[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccco1
InChIInChI=1S/C20H21ClN2O3/c1-14(18-4-3-11-25-18)22-12-20(24)23(2)13-17-9-10-19(26-17)15-5-7-16(21)8-6-15/h3-11,14,22H,12-13H2,1-2H3/p+1/t14-/m0/s1
InChIKeyGCJCMGXBSVBNTH-AWEZNQCLSA-O
XLogP3.48
TPSA63.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8921213) is [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccco1.
What is the InChIKey of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is GCJCMGXBSVBNTH-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H21ClN2O3/c1-14(18-4-3-11-25-18)22-12-20(24)23(2)13-17-9-10-19(26-17)15-5-7-16(21)8-6-15/h3-11,14,22H,12-13H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 373.86 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8921213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).