5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline

C13H9BrClF2N — CID 55192582

IUPAC5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2cc(Br)ccc2Cl)c(F)c1
InChIInChI=1S/C13H9BrClF2N/c14-9-2-4-11(15)13(5-9)18-7-8-1-3-10(16)6-12(8)17/h1-6,18H,7H2
InChIKeyFTWDJMDNBBXZLU-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline

5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline (PubChem CID 55192582) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline
PubChem CID55192582
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC Name5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2cc(Br)ccc2Cl)c(F)c1
InChIInChI=1S/C13H9BrClF2N/c14-9-2-4-11(15)13(5-9)18-7-8-1-3-10(16)6-12(8)17/h1-6,18H,7H2
InChIKeyFTWDJMDNBBXZLU-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-chloro-N-[(2,4-difluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline (CID 55192582) is 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline is Fc1ccc(CNc2cc(Br)ccc2Cl)c(F)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline?
The InChIKey is FTWDJMDNBBXZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-9-2-4-11(15)13(5-9)18-7-8-1-3-10(16)6-12(8)17/h1-6,18H,7H2.
What are the key properties of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline?
5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline has a molecular weight of 332.58 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]aniline is sourced from PubChem (CID 55192582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).