N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline

C13H10ClFIN — CID 63422009

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline
SMILESFc1cc(CNc2ccccc2I)ccc1Cl
InChIInChI=1S/C13H10ClFIN/c14-10-6-5-9(7-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7,17H,8H2
InChIKeyFWSGRCFVVORAHF-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.70
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline

N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline (PubChem CID 63422009) has the molecular formula C13H10ClFIN and a molecular weight of 361.59 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline
PubChem CID63422009
Molecular FormulaC13H10ClFIN
Molecular Weight361.59 g/mol
Exact Mass360.95
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline
SMILESFc1cc(CNc2ccccc2I)ccc1Cl
InChIInChI=1S/C13H10ClFIN/c14-10-6-5-9(7-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7,17H,8H2
InChIKeyFWSGRCFVVORAHF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chloro-3-fluorophenyl)methyl]-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

4-[(2-iodoanilino)methyl]benzene-1,2-diol
CID 28978220
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
2-iodo-N-[(4-methylphenyl)methyl]aniline
CID 28878568
2-iodo-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 28878595
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
CID 113328691
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
CID 82012960

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline (CID 63422009) is N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline is Fc1cc(CNc2ccccc2I)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline?
The InChIKey is FWSGRCFVVORAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFIN/c14-10-6-5-9(7-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7,17H,8H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline?
N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline has a molecular weight of 361.59 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline is sourced from PubChem (CID 63422009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).