N-[(3-fluorophenyl)methyl]-3-iodoaniline

C13H11FIN — CID 28879212

IUPACN-[(3-fluorophenyl)methyl]-3-iodoaniline
SMILESFc1cccc(CNc2cccc(I)c2)c1
InChIInChI=1S/C13H11FIN/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8,16H,9H2
InChIKeyKJIPEWUGQGNIEZ-UHFFFAOYSA-N
MW327.14 g/mol
LogP4.04
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-3-iodoaniline

N-[(3-fluorophenyl)methyl]-3-iodoaniline (PubChem CID 28879212) has the molecular formula C13H11FIN and a molecular weight of 327.14 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-iodoaniline
PubChem CID28879212
Molecular FormulaC13H11FIN
Molecular Weight327.14 g/mol
Exact Mass326.99
IUPAC NameN-[(3-fluorophenyl)methyl]-3-iodoaniline
SMILESFc1cccc(CNc2cccc(I)c2)c1
InChIInChI=1S/C13H11FIN/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8,16H,9H2
InChIKeyKJIPEWUGQGNIEZ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]-3-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-[(3,4-difluorophenyl)methyl]-3-iodoaniline
CID 28879228
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
CID 103761094
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-iodoaniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-iodoaniline (CID 28879212) is N-[(3-fluorophenyl)methyl]-3-iodoaniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-iodoaniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-iodoaniline is Fc1cccc(CNc2cccc(I)c2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-iodoaniline?
The InChIKey is KJIPEWUGQGNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8,16H,9H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-iodoaniline?
N-[(3-fluorophenyl)methyl]-3-iodoaniline has a molecular weight of 327.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-iodoaniline is sourced from PubChem (CID 28879212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).