4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline

C14H12F2IN — CID 79768402

IUPAC4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
SMILESCc1cc(F)ccc1CNc1ccc(F)cc1I
InChIInChI=1S/C14H12F2IN/c1-9-6-11(15)3-2-10(9)8-18-14-5-4-12(16)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyLFXWGKITPUSSAL-UHFFFAOYSA-N
MW359.16 g/mol
LogP4.49
Rot. Bonds3

About 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline

4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline (PubChem CID 79768402) has the molecular formula C14H12F2IN and a molecular weight of 359.16 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
PubChem CID79768402
Molecular FormulaC14H12F2IN
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC Name4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
SMILESCc1cc(F)ccc1CNc1ccc(F)cc1I
InChIInChI=1S/C14H12F2IN/c1-9-6-11(15)3-2-10(9)8-18-14-5-4-12(16)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyLFXWGKITPUSSAL-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 54.49
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

N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
CID 79769709
4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79759188

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline?
The IUPAC name of 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline (CID 79768402) is 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline.
What is the SMILES notation for 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline?
The canonical SMILES for 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline is Cc1cc(F)ccc1CNc1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline?
The InChIKey is LFXWGKITPUSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN/c1-9-6-11(15)3-2-10(9)8-18-14-5-4-12(16)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline?
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline has a molecular weight of 359.16 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline is sourced from PubChem (CID 79768402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).