2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline

C13H9Br2F2N — CID 107598279

IUPAC2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
SMILESFc1ccc(Br)cc1CNc1c(F)cccc1Br
InChIInChI=1S/C13H9Br2F2N/c14-9-4-5-11(16)8(6-9)7-18-13-10(15)2-1-3-12(13)17/h1-6,18H,7H2
InChIKeyAPWNKTGYNJWWJC-UHFFFAOYSA-N
MW377.03 g/mol
LogP5.10
Rot. Bonds3

About 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline (PubChem CID 107598279) has the molecular formula C13H9Br2F2N and a molecular weight of 377.03 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
PubChem CID107598279
Molecular FormulaC13H9Br2F2N
Molecular Weight377.03 g/mol
Exact Mass374.91
IUPAC Name2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
SMILESFc1ccc(Br)cc1CNc1c(F)cccc1Br
InChIInChI=1S/C13H9Br2F2N/c14-9-4-5-11(16)8(6-9)7-18-13-10(15)2-1-3-12(13)17/h1-6,18H,7H2
InChIKeyAPWNKTGYNJWWJC-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.03
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
CID 107598245
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline (CID 107598279) is 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline is Fc1ccc(Br)cc1CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline?
The InChIKey is APWNKTGYNJWWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2N/c14-9-4-5-11(16)8(6-9)7-18-13-10(15)2-1-3-12(13)17/h1-6,18H,7H2.
What are the key properties of 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline?
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline has a molecular weight of 377.03 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 107598279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).