4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline

C13H8BrF4N — CID 65469109

IUPAC4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(CNc2c(F)cc(Br)cc2F)c1F
InChIInChI=1S/C13H8BrF4N/c14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-5,19H,6H2
InChIKeyUVSCOGZOMBGMFZ-UHFFFAOYSA-N
MW334.11 g/mol
LogP4.62
Rot. Bonds3

About 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline

4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline (PubChem CID 65469109) has the molecular formula C13H8BrF4N and a molecular weight of 334.11 g/mol. Its IUPAC name is 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
PubChem CID65469109
Molecular FormulaC13H8BrF4N
Molecular Weight334.11 g/mol
Exact Mass332.98
IUPAC Name4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(CNc2c(F)cc(Br)cc2F)c1F
InChIInChI=1S/C13H8BrF4N/c14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-5,19H,6H2
InChIKeyUVSCOGZOMBGMFZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline (CID 65469109) is 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline is Fc1cccc(CNc2c(F)cc(Br)cc2F)c1F.
What is the InChIKey of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is UVSCOGZOMBGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4N/c14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-5,19H,6H2.
What are the key properties of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline?
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline has a molecular weight of 334.11 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 65469109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).