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

C13H10BrFIN — CID 79769241

IUPACN-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
SMILESFc1ccc(NCc2ccccc2Br)c(I)c1
InChIInChI=1S/C13H10BrFIN/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7,17H,8H2
InChIKeyDYQQQTWAVZUIDI-UHFFFAOYSA-N
MW406.04 g/mol
LogP4.80
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline (PubChem CID 79769241) has the molecular formula C13H10BrFIN and a molecular weight of 406.04 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
PubChem CID79769241
Molecular FormulaC13H10BrFIN
Molecular Weight406.04 g/mol
Exact Mass404.90
IUPAC NameN-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
SMILESFc1ccc(NCc2ccccc2Br)c(I)c1
InChIInChI=1S/C13H10BrFIN/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7,17H,8H2
InChIKeyDYQQQTWAVZUIDI-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'}

Analyze N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-4-chloro-2-iodoaniline
CID 107631624
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79759188
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
N-[(4-bromo-3-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 81436731
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
N-[(6-bromo-2-pyridinyl)methyl]-4-fluoro-2-iodoaniline
CID 112582493
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline (CID 79769241) is N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline is Fc1ccc(NCc2ccccc2Br)c(I)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline?
The InChIKey is DYQQQTWAVZUIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFIN/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7,17H,8H2.
What are the key properties of N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline?
N-[(2-bromophenyl)methyl]-4-fluoro-2-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-bromophenyl)methyl]-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).