2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

C14H10ClF3IN — CID 43433530

IUPAC2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccccc1CNc1ccc(I)cc1Cl
InChIInChI=1S/C14H10ClF3IN/c15-12-7-10(19)5-6-13(12)20-8-9-3-1-2-4-11(9)14(16,17)18/h1-7,20H,8H2
InChIKeyRTEUEOVDNMQCJO-UHFFFAOYSA-N
MW411.59 g/mol
LogP5.58
Rot. Bonds3

About 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 43433530) has the molecular formula C14H10ClF3IN and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID43433530
Molecular FormulaC14H10ClF3IN
Molecular Weight411.59 g/mol
Exact Mass410.95
IUPAC Name2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccccc1CNc1ccc(I)cc1Cl
InChIInChI=1S/C14H10ClF3IN/c15-12-7-10(19)5-6-13(12)20-8-9-3-1-2-4-11(9)14(16,17)18/h1-7,20H,8H2
InChIKeyRTEUEOVDNMQCJO-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline 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

5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
4-chloro-5-fluoro-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 66078811
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-iodoaniline
CID 114076433
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
6-chloro-7-[[2-(trifluoromethyl)phenyl]methylamino]-4H-1,4-benzoxazin-3-one
CID 51114030
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 43433530) is 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1ccccc1CNc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is RTEUEOVDNMQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3IN/c15-12-7-10(19)5-6-13(12)20-8-9-3-1-2-4-11(9)14(16,17)18/h1-7,20H,8H2.
What are the key properties of 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 411.59 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 43433530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).