[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium

C19H24BrN2O2+ — CID 8596739

IUPAC[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
SMILESC[C@@H](NC(=O)C[NH+](C)Cc1ccc(-c2ccc(Br)cc2)o1)C1CC1
InChIInChI=1S/C19H23BrN2O2/c1-13(14-3-4-14)21-19(23)12-22(2)11-17-9-10-18(24-17)15-5-7-16(20)8-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1
InChIKeyMELDGVSRSQXNJA-CYBMUJFWSA-O
MW392.32 g/mol
LogP2.64
Rot. Bonds7

About [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium

[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8596739) has the molecular formula C19H24BrN2O2+ and a molecular weight of 392.32 g/mol. Its IUPAC name is [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
PubChem CID8596739
Molecular FormulaC19H24BrN2O2+
Molecular Weight392.32 g/mol
Exact Mass391.10
IUPAC Name[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
SMILESC[C@@H](NC(=O)C[NH+](C)Cc1ccc(-c2ccc(Br)cc2)o1)C1CC1
InChIInChI=1S/C19H23BrN2O2/c1-13(14-3-4-14)21-19(23)12-22(2)11-17-9-10-18(24-17)15-5-7-16(20)8-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1
InChIKeyMELDGVSRSQXNJA-CYBMUJFWSA-O
XLogP2.64
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium (CID 8596739) is [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium is C[C@@H](NC(=O)C[NH+](C)Cc1ccc(-c2ccc(Br)cc2)o1)C1CC1.
What is the InChIKey of [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is MELDGVSRSQXNJA-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H23BrN2O2/c1-13(14-3-4-14)21-19(23)12-22(2)11-17-9-10-18(24-17)15-5-7-16(20)8-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1.
What are the key properties of [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium?
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 392.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8596739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).