[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium

C14H16IN2O2+ — CID 8919274

IUPAC[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccco1
InChIInChI=1S/C14H15IN2O2/c1-10(13-6-3-7-19-13)16-9-14(18)17-12-5-2-4-11(15)8-12/h2-8,10,16H,9H2,1H3,(H,17,18)/p+1/t10-/m1/s1
InChIKeyKTWPATZKXFMTGV-SNVBAGLBSA-O
MW371.20 g/mol
LogP2.15
Rot. Bonds5

About [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium

[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium (PubChem CID 8919274) has the molecular formula C14H16IN2O2+ and a molecular weight of 371.20 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
PubChem CID8919274
Molecular FormulaC14H16IN2O2+
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccco1
InChIInChI=1S/C14H15IN2O2/c1-10(13-6-3-7-19-13)16-9-14(18)17-12-5-2-4-11(15)8-12/h2-8,10,16H,9H2,1H3,(H,17,18)/p+1/t10-/m1/s1
InChIKeyKTWPATZKXFMTGV-SNVBAGLBSA-O
XLogP2.15
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922277
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[(1S)-1-(4-chlorophenyl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 9336464
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920588
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918435
[(1R)-1-(furan-2-yl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922088

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium (CID 8919274) is [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium?
The InChIKey is KTWPATZKXFMTGV-SNVBAGLBSA-O. The full InChI is InChI=1S/C14H15IN2O2/c1-10(13-6-3-7-19-13)16-9-14(18)17-12-5-2-4-11(15)8-12/h2-8,10,16H,9H2,1H3,(H,17,18)/p+1/t10-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium?
[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium has a molecular weight of 371.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8919274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).