2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline

C13H9BrCl2FN — CID 107597860

IUPAC2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
SMILESFc1cccc(Br)c1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-10-2-1-3-12(17)13(10)18-7-8-4-5-9(15)6-11(8)16/h1-6,18H,7H2
InChIKeyVYNLRWOAPWWATO-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline

2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline (PubChem CID 107597860) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
PubChem CID107597860
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
SMILESFc1cccc(Br)c1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FN/c14-10-2-1-3-12(17)13(10)18-7-8-4-5-9(15)6-11(8)16/h1-6,18H,7H2
InChIKeyVYNLRWOAPWWATO-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-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
CID 114075525
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline (CID 107597860) is 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline is Fc1cccc(Br)c1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline?
The InChIKey is VYNLRWOAPWWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-10-2-1-3-12(17)13(10)18-7-8-4-5-9(15)6-11(8)16/h1-6,18H,7H2.
What are the key properties of 2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline?
2-bromo-N-[(2,4-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-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 107597860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).