5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline

C14H15ClINO2 — CID 63453193

IUPAC5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1ccc(I)o1
InChIInChI=1S/C14H15ClINO2/c1-2-7-18-13-5-3-10(15)8-12(13)17-9-11-4-6-14(16)19-11/h3-6,8,17H,2,7,9H2,1H3
InChIKeyVGBARVMMJQOOAU-UHFFFAOYSA-N
MW391.64 g/mol
LogP4.94
Rot. Bonds6

About 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline

5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline (PubChem CID 63453193) has the molecular formula C14H15ClINO2 and a molecular weight of 391.64 g/mol. Its IUPAC name is 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
PubChem CID63453193
Molecular FormulaC14H15ClINO2
Molecular Weight391.64 g/mol
Exact Mass390.98
IUPAC Name5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1ccc(I)o1
InChIInChI=1S/C14H15ClINO2/c1-2-7-18-13-5-3-10(15)8-12(13)17-9-11-4-6-14(16)19-11/h3-6,8,17H,2,7,9H2,1H3
InChIKeyVGBARVMMJQOOAU-UHFFFAOYSA-N
XLogP4.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
5-[(5-chloro-2-propoxyanilino)methyl]furan-3-carboxylic acid
CID 104608688
methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
5-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-propoxyaniline
CID 87029729
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
CID 107685652
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline
CID 126791418
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
CID 103347674

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline (CID 63453193) is 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NCc1ccc(I)o1.
What is the InChIKey of 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline?
The InChIKey is VGBARVMMJQOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClINO2/c1-2-7-18-13-5-3-10(15)8-12(13)17-9-11-4-6-14(16)19-11/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline?
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline has a molecular weight of 391.64 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline is sourced from PubChem (CID 63453193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).