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

C14H11BrClF2N — CID 106862279

IUPAC2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C14H11BrClF2N/c1-8-2-3-9(12(16)4-8)7-19-14-11(15)5-10(17)6-13(14)18/h2-6,19H,7H2,1H3
InChIKeyBDVDERCGLHICAZ-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.30
Rot. Bonds3

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

2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline (PubChem CID 106862279) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
PubChem CID106862279
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C14H11BrClF2N/c1-8-2-3-9(12(16)4-8)7-19-14-11(15)5-10(17)6-13(14)18/h2-6,19H,7H2,1H3
InChIKeyBDVDERCGLHICAZ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
CID 106862809
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline (CID 106862279) is 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline is Cc1ccc(CNc2c(F)cc(F)cc2Br)c(Cl)c1.
What is the InChIKey of 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline?
The InChIKey is BDVDERCGLHICAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8-2-3-9(12(16)4-8)7-19-14-11(15)5-10(17)6-13(14)18/h2-6,19H,7H2,1H3.
What are the key properties of 2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline?
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline has a molecular weight of 346.60 g/mol, XLogP of 5.30, 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-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 106862279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).