4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline

C15H13BrCl2FN — CID 107787388

IUPAC4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2FN/c1-9(8-10-4-2-3-5-12(10)19)20-13-7-6-11(16)14(17)15(13)18/h2-7,9,20H,8H2,1H3
InChIKeyLOQNKJHKRMFGAH-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.94
Rot. Bonds4

About 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline

4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline (PubChem CID 107787388) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
PubChem CID107787388
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2FN/c1-9(8-10-4-2-3-5-12(10)19)20-13-7-6-11(16)14(17)15(13)18/h2-7,9,20H,8H2,1H3
InChIKeyLOQNKJHKRMFGAH-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]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

2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
2-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114829049
3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114829477
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
4-bromo-2,3-dichloro-N-pentan-2-ylaniline
CID 107787687
4-(4-bromo-2,3-dichloroanilino)pentanoic acid
CID 114001638
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
CID 107787506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline (CID 107787388) is 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline is CC(Cc1ccccc1F)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The InChIKey is LOQNKJHKRMFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-9(8-10-4-2-3-5-12(10)19)20-13-7-6-11(16)14(17)15(13)18/h2-7,9,20H,8H2,1H3.
What are the key properties of 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline has a molecular weight of 377.08 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 107787388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).