4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline

C13H8BrClF3N — CID 65469947

IUPAC4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1ccc(CNc2c(F)cc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C13H8BrClF3N/c14-8-3-11(17)13(12(18)4-8)19-6-7-1-2-9(16)5-10(7)15/h1-5,19H,6H2
InChIKeyYHCBDRXARRTBAO-UHFFFAOYSA-N
MW350.57 g/mol
LogP5.13
Rot. Bonds3

About 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline

4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline (PubChem CID 65469947) has the molecular formula C13H8BrClF3N and a molecular weight of 350.57 g/mol. Its IUPAC name is 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
PubChem CID65469947
Molecular FormulaC13H8BrClF3N
Molecular Weight350.57 g/mol
Exact Mass348.95
IUPAC Name4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1ccc(CNc2c(F)cc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C13H8BrClF3N/c14-8-3-11(17)13(12(18)4-8)19-6-7-1-2-9(16)5-10(7)15/h1-5,19H,6H2
InChIKeyYHCBDRXARRTBAO-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
CID 106862809
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 63492584
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
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
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline (CID 65469947) is 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline is Fc1ccc(CNc2c(F)cc(Br)cc2F)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is YHCBDRXARRTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3N/c14-8-3-11(17)13(12(18)4-8)19-6-7-1-2-9(16)5-10(7)15/h1-5,19H,6H2.
What are the key properties of 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline?
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline has a molecular weight of 350.57 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 65469947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).