N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline

C13H9BrCl2FN — CID 83076808

IUPACN-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C13H9BrCl2FN/c14-10-4-2-1-3-8(10)7-18-13-11(15)5-9(17)6-12(13)16/h1-6,18H,7H2
InChIKeyJMHCASFAFYZCAN-UHFFFAOYSA-N
MW349.03 g/mol
LogP5.51
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline

N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline (PubChem CID 83076808) has the molecular formula C13H9BrCl2FN and a molecular weight of 349.03 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
PubChem CID83076808
Molecular FormulaC13H9BrCl2FN
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC NameN-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C13H9BrCl2FN/c14-10-4-2-1-3-8(10)7-18-13-11(15)5-9(17)6-12(13)16/h1-6,18H,7H2
InChIKeyJMHCASFAFYZCAN-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 83077048
2-bromo-6-chloro-4-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 107610150
4-[(2,6-dichloro-4-fluoroanilino)methyl]benzene-1,3-diol
CID 83077129
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
2-bromo-6-chloro-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107610536
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
3-N-[(2-bromophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 61401610
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline (CID 83076808) is N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline is Fc1cc(Cl)c(NCc2ccccc2Br)c(Cl)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline?
The InChIKey is JMHCASFAFYZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FN/c14-10-4-2-1-3-8(10)7-18-13-11(15)5-9(17)6-12(13)16/h1-6,18H,7H2.
What are the key properties of N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline?
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline has a molecular weight of 349.03 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline is sourced from PubChem (CID 83076808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).