N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline

C13H10BrFIN — CID 28884630

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
SMILESFc1ccc(CNc2ccc(I)cc2)c(Br)c1
InChIInChI=1S/C13H10BrFIN/c14-13-7-10(15)2-1-9(13)8-17-12-5-3-11(16)4-6-12/h1-7,17H,8H2
InChIKeyQWPIDUCDLZCYRZ-UHFFFAOYSA-N
MW406.04 g/mol
LogP4.80
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline

N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline (PubChem CID 28884630) has the molecular formula C13H10BrFIN and a molecular weight of 406.04 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
PubChem CID28884630
Molecular FormulaC13H10BrFIN
Molecular Weight406.04 g/mol
Exact Mass404.90
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
SMILESFc1ccc(CNc2ccc(I)cc2)c(Br)c1
InChIInChI=1S/C13H10BrFIN/c14-13-7-10(15)2-1-9(13)8-17-12-5-3-11(16)4-6-12/h1-7,17H,8H2
InChIKeyQWPIDUCDLZCYRZ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.04
LogP ≤ 54.80
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

2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
CID 107095670
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-[(2-bromo-4-fluorophenyl)methyl]-3-methoxyaniline
CID 28585613
N-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)aniline
CID 65023906
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
methyl 3-bromo-4-[(4-fluoroanilino)methyl]benzoate
CID 102766440
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline (CID 28884630) is N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline is Fc1ccc(CNc2ccc(I)cc2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline?
The InChIKey is QWPIDUCDLZCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFIN/c14-13-7-10(15)2-1-9(13)8-17-12-5-3-11(16)4-6-12/h1-7,17H,8H2.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline?
N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline has a molecular weight of 406.04 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 28884630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).