N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline

C13H9BrCl2FN — CID 43243000

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
SMILESFc1cc(Br)ccc1CNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-5-4-8(11(17)6-9)7-18-12-3-1-2-10(15)13(12)16/h1-6,18H,7H2
InChIKeySCDTYYIHQUBJPB-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline

N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline (PubChem CID 43243000) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
PubChem CID43243000
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
SMILESFc1cc(Br)ccc1CNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-9-5-4-8(11(17)6-9)7-18-12-3-1-2-10(15)13(12)16/h1-6,18H,7H2
InChIKeySCDTYYIHQUBJPB-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

N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 66159868
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
N-[(2-bromo-4-nitrophenyl)methyl]-2,3-dichloroaniline
CID 60791051

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline (CID 43243000) is N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline is Fc1cc(Br)ccc1CNc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline?
The InChIKey is SCDTYYIHQUBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-9-5-4-8(11(17)6-9)7-18-12-3-1-2-10(15)13(12)16/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline 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 N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline is sourced from PubChem (CID 43243000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).