2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline

C13H9BrCl2FN — CID 107598297

IUPAC2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
SMILESFc1cccc(Br)c1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-3-1-6-12(17)13(9)18-7-8-10(15)4-2-5-11(8)16/h1-6,18H,7H2
InChIKeyHAUGZWSRSWKVIM-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline

2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline (PubChem CID 107598297) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
PubChem CID107598297
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
SMILESFc1cccc(Br)c1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-3-1-6-12(17)13(9)18-7-8-10(15)4-2-5-11(8)16/h1-6,18H,7H2
InChIKeyHAUGZWSRSWKVIM-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-6-fluoroaniline
CID 107597882
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 28992578
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 107598583
3-chloro-2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol
CID 115564169
2-bromo-6-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 103741870

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline (CID 107598297) is 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline is Fc1cccc(Br)c1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline?
The InChIKey is HAUGZWSRSWKVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-9-3-1-6-12(17)13(9)18-7-8-10(15)4-2-5-11(8)16/h1-6,18H,7H2.
What are the key properties of 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline?
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline has a molecular weight of 349.03 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 107598297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).