4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline

C11H8FIN2O3 — CID 43785700

IUPAC4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline
SMILESO=[N+]([O-])c1cc(NCc2ccc(I)o2)ccc1F
InChIInChI=1S/C11H8FIN2O3/c12-9-3-1-7(5-10(9)15(16)17)14-6-8-2-4-11(13)18-8/h1-5,14H,6H2
InChIKeyYLDMMHLBOFYSNZ-UHFFFAOYSA-N
MW362.10 g/mol
LogP3.54
Rot. Bonds4

About 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline

4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline (PubChem CID 43785700) has the molecular formula C11H8FIN2O3 and a molecular weight of 362.10 g/mol. Its IUPAC name is 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline
PubChem CID43785700
Molecular FormulaC11H8FIN2O3
Molecular Weight362.10 g/mol
Exact Mass361.96
IUPAC Name4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline
SMILESO=[N+]([O-])c1cc(NCc2ccc(I)o2)ccc1F
InChIInChI=1S/C11H8FIN2O3/c12-9-3-1-7(5-10(9)15(16)17)14-6-8-2-4-11(13)18-8/h1-5,14H,6H2
InChIKeyYLDMMHLBOFYSNZ-UHFFFAOYSA-N
XLogP3.54
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43761592
N-[(4-chlorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43232414
4-fluoro-N-(furan-3-ylmethyl)-3-nitroaniline
CID 55163988
4-fluoro-3-nitro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43785712
N-[(2,4-difluorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43719245
2,6-difluoro-4-[(4-fluoro-3-nitroanilino)methyl]phenol
CID 79882745
N-[(5-iodofuran-2-yl)methyl]-2,4-dimethyl-5-nitroaniline
CID 104757417
4-[(4-fluoro-3-nitroanilino)methyl]benzene-1,2,3-triol
CID 107730625
4-fluoro-3-nitro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408947
4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitroaniline
CID 30147587
4-fluoro-3-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657018
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-fluoro-3-nitroaniline
CID 36587627

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline?
The IUPAC name of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline (CID 43785700) is 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline.
What is the SMILES notation for 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline?
The canonical SMILES for 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline is O=[N+]([O-])c1cc(NCc2ccc(I)o2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline?
The InChIKey is YLDMMHLBOFYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O3/c12-9-3-1-7(5-10(9)15(16)17)14-6-8-2-4-11(13)18-8/h1-5,14H,6H2.
What are the key properties of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline?
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline has a molecular weight of 362.10 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline is sourced from PubChem (CID 43785700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).