4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline

C13H10FI2N — CID 79769495

IUPAC4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
SMILESFc1ccc(NCc2ccc(I)cc2)c(I)c1
InChIInChI=1S/C13H10FI2N/c14-10-3-6-13(12(16)7-10)17-8-9-1-4-11(15)5-2-9/h1-7,17H,8H2
InChIKeyPAEBBUHYDICFJQ-UHFFFAOYSA-N
MW453.04 g/mol
LogP4.65
Rot. Bonds3

About 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline

4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline (PubChem CID 79769495) has the molecular formula C13H10FI2N and a molecular weight of 453.04 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
PubChem CID79769495
Molecular FormulaC13H10FI2N
Molecular Weight453.04 g/mol
Exact Mass452.89
IUPAC Name4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
SMILESFc1ccc(NCc2ccc(I)cc2)c(I)c1
InChIInChI=1S/C13H10FI2N/c14-10-3-6-13(12(16)7-10)17-8-9-1-4-11(15)5-2-9/h1-7,17H,8H2
InChIKeyPAEBBUHYDICFJQ-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.04
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454
1-N-[(4-fluorophenyl)methyl]-2-iodobenzene-1,4-diamine
CID 66094964
N-[(4-bromo-3-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 81436731
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768476
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
4-[(4-fluoro-2-iodoanilino)methyl]-2-methoxybenzonitrile
CID 106787689

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline (CID 79769495) is 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline is Fc1ccc(NCc2ccc(I)cc2)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline?
The InChIKey is PAEBBUHYDICFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FI2N/c14-10-3-6-13(12(16)7-10)17-8-9-1-4-11(15)5-2-9/h1-7,17H,8H2.
What are the key properties of 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline?
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline has a molecular weight of 453.04 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline is sourced from PubChem (CID 79769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).