2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline

C13H8BrClF3N — CID 107610048

IUPAC2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
SMILESFc1cc(F)cc(CNc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C13H8BrClF3N/c14-11-4-10(18)5-12(15)13(11)19-6-7-1-8(16)3-9(17)2-7/h1-5,19H,6H2
InChIKeyQTUHWSOFCJZCGT-UHFFFAOYSA-N
MW350.57 g/mol
LogP5.13
Rot. Bonds3

About 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline

2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline (PubChem CID 107610048) has the molecular formula C13H8BrClF3N and a molecular weight of 350.57 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
PubChem CID107610048
Molecular FormulaC13H8BrClF3N
Molecular Weight350.57 g/mol
Exact Mass348.95
IUPAC Name2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
SMILESFc1cc(F)cc(CNc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C13H8BrClF3N/c14-11-4-10(18)5-12(15)13(11)19-6-7-1-8(16)3-9(17)2-7/h1-5,19H,6H2
InChIKeyQTUHWSOFCJZCGT-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

2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
2-bromo-6-chloro-4-fluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107610737
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-6-chloro-4-fluoroaniline
CID 107610481
2-bromo-6-chloro-4-fluoro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 107610291
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
2-bromo-6-chloro-4-fluoro-N-(1,3-oxazol-5-ylmethyl)aniline
CID 107610757
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
2-bromo-6-chloro-4-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 91660875
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline (CID 107610048) is 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline is Fc1cc(F)cc(CNc2c(Cl)cc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline?
The InChIKey is QTUHWSOFCJZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3N/c14-11-4-10(18)5-12(15)13(11)19-6-7-1-8(16)3-9(17)2-7/h1-5,19H,6H2.
What are the key properties of 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline?
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline 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 2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 107610048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).