N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline

C13H8BrCl2F2N — CID 106263110

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
SMILESFc1ccc(Br)c(F)c1CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8BrCl2F2N/c14-11-1-2-12(17)10(13(11)18)6-19-9-4-7(15)3-8(16)5-9/h1-5,19H,6H2
InChIKeyXIHAVKFHASOVNE-UHFFFAOYSA-N
MW367.02 g/mol
LogP5.65
Rot. Bonds3

About N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline

N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline (PubChem CID 106263110) has the molecular formula C13H8BrCl2F2N and a molecular weight of 367.02 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
PubChem CID106263110
Molecular FormulaC13H8BrCl2F2N
Molecular Weight367.02 g/mol
Exact Mass364.92
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
SMILESFc1ccc(Br)c(F)c1CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8BrCl2F2N/c14-11-1-2-12(17)10(13(11)18)6-19-9-4-7(15)3-8(16)5-9/h1-5,19H,6H2
InChIKeyXIHAVKFHASOVNE-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.02
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloro-4,6-difluoroaniline
CID 106263674
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 106263207
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263145
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
CID 106263172
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 106263562
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263591
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline (CID 106263110) is N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline is Fc1ccc(Br)c(F)c1CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline?
The InChIKey is XIHAVKFHASOVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F2N/c14-11-1-2-12(17)10(13(11)18)6-19-9-4-7(15)3-8(16)5-9/h1-5,19H,6H2.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline?
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline has a molecular weight of 367.02 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline is sourced from PubChem (CID 106263110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).