4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline

C14H12ClFIN — CID 107632466

IUPAC4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
SMILESCC(Nc1ccc(Cl)cc1I)c1cccc(F)c1
InChIInChI=1S/C14H12ClFIN/c1-9(10-3-2-4-12(16)7-10)18-14-6-5-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyWCIVFGQVPDERQW-UHFFFAOYSA-N
MW375.61 g/mol
LogP5.26
Rot. Bonds3

About 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline

4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline (PubChem CID 107632466) has the molecular formula C14H12ClFIN and a molecular weight of 375.61 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
PubChem CID107632466
Molecular FormulaC14H12ClFIN
Molecular Weight375.61 g/mol
Exact Mass374.97
IUPAC Name4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
SMILESCC(Nc1ccc(Cl)cc1I)c1cccc(F)c1
InChIInChI=1S/C14H12ClFIN/c1-9(10-3-2-4-12(16)7-10)18-14-6-5-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyWCIVFGQVPDERQW-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.61
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[1-(3-fluorophenyl)ethyl]-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-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
CID 114256809
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
4-fluoro-2-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 79758863
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
CID 107632154
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline?
The IUPAC name of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline (CID 107632466) is 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline?
The canonical SMILES for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline is CC(Nc1ccc(Cl)cc1I)c1cccc(F)c1.
What is the InChIKey of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline?
The InChIKey is WCIVFGQVPDERQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFIN/c1-9(10-3-2-4-12(16)7-10)18-14-6-5-11(15)8-13(14)17/h2-9,18H,1H3.
What are the key properties of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline?
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline has a molecular weight of 375.61 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline is sourced from PubChem (CID 107632466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).