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

C12H11FINO2 — CID 54968306

IUPAC4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1ccc(I)o1
InChIInChI=1S/C12H11FINO2/c1-16-11-6-8(13)2-4-10(11)15-7-9-3-5-12(14)17-9/h2-6,15H,7H2,1H3
InChIKeyMMRBNPLKWTVSRF-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.64
Rot. Bonds4

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

4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline (PubChem CID 54968306) has the molecular formula C12H11FINO2 and a molecular weight of 347.13 g/mol. Its IUPAC name is 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
PubChem CID54968306
Molecular FormulaC12H11FINO2
Molecular Weight347.13 g/mol
Exact Mass346.98
IUPAC Name4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1ccc(I)o1
InChIInChI=1S/C12H11FINO2/c1-16-11-6-8(13)2-4-10(11)15-7-9-3-5-12(14)17-9/h2-6,15H,7H2,1H3
InChIKeyMMRBNPLKWTVSRF-UHFFFAOYSA-N
XLogP3.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.64
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

tert-butyl N-[4-fluoro-2-[(5-iodofuran-2-yl)methylamino]phenyl]carbamate
CID 107240771
3-[(5-iodofuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742467
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
5-ethyl-N-(4-fluoro-2-methoxyphenyl)furan-2-carboxamide
CID 47170065
N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 79978801
methyl 5-fluoro-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzoate
CID 64580738
2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 61076991
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
CID 43772647
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250060

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline (CID 54968306) is 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline is COc1cc(F)ccc1NCc1ccc(I)o1.
What is the InChIKey of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
The InChIKey is MMRBNPLKWTVSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FINO2/c1-16-11-6-8(13)2-4-10(11)15-7-9-3-5-12(14)17-9/h2-6,15H,7H2,1H3.
What are the key properties of 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline?
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline has a molecular weight of 347.13 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 54968306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).