2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline

C13H8Br3ClFN — CID 114841513

IUPAC2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
SMILESFc1ccc(Cl)cc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H8Br3ClFN/c14-8-4-10(15)13(11(16)5-8)19-6-7-3-9(17)1-2-12(7)18/h1-5,19H,6H2
InChIKeySBUSQSFPWOVZHQ-UHFFFAOYSA-N
MW472.38 g/mol
LogP6.38
Rot. Bonds3

About 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline

2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline (PubChem CID 114841513) has the molecular formula C13H8Br3ClFN and a molecular weight of 472.38 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
PubChem CID114841513
Molecular FormulaC13H8Br3ClFN
Molecular Weight472.38 g/mol
Exact Mass468.79
IUPAC Name2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
SMILESFc1ccc(Cl)cc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H8Br3ClFN/c14-8-4-10(15)13(11(16)5-8)19-6-7-3-9(17)1-2-12(7)18/h1-5,19H,6H2
InChIKeySBUSQSFPWOVZHQ-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
4-fluoro-3-[(2,4,6-tribromoanilino)methyl]benzonitrile
CID 28992070
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
2-[(2,4,6-tribromoanilino)methyl]phenol
CID 28991854
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline (CID 114841513) is 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline is Fc1ccc(Cl)cc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline?
The InChIKey is SBUSQSFPWOVZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3ClFN/c14-8-4-10(15)13(11(16)5-8)19-6-7-3-9(17)1-2-12(7)18/h1-5,19H,6H2.
What are the key properties of 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline?
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline has a molecular weight of 472.38 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 114841513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).