N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline

C20H16BrClFN — CID 71060075

IUPACN-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline
SMILESCC(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C20H16BrClFN/c1-13(19-11-6-16(22)12-20(19)21)24-18-9-4-15(5-10-18)14-2-7-17(23)8-3-14/h2-13,24H,1H3
InChIKeyLSRBXLKBBIIASJ-UHFFFAOYSA-N
MW404.71 g/mol
LogP7.08
Rot. Bonds4

About N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline

N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline (PubChem CID 71060075) has the molecular formula C20H16BrClFN and a molecular weight of 404.71 g/mol. Its IUPAC name is N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline.

Molecular Properties

Compound NameN-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline
PubChem CID71060075
Molecular FormulaC20H16BrClFN
Molecular Weight404.71 g/mol
Exact Mass403.01
IUPAC NameN-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline
SMILESCC(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C20H16BrClFN/c1-13(19-11-6-16(22)12-20(19)21)24-18-9-4-15(5-10-18)14-2-7-17(23)8-3-14/h2-13,24H,1H3
InChIKeyLSRBXLKBBIIASJ-UHFFFAOYSA-N
XLogP7.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114068495
1-(2-bromo-4-chlorophenyl)ethylhydrazine
CID 107996612
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
2-bromo-4-chloro-1-(4-fluorophenyl)benzene
CID 168802728
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
2-[1-(4-bromo-3-chloroanilino)ethyl]-4-fluorophenol
CID 107619041

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline?
The IUPAC name of N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline (CID 71060075) is N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline.
What is the SMILES notation for N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline?
The canonical SMILES for N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline is CC(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline?
The InChIKey is LSRBXLKBBIIASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClFN/c1-13(19-11-6-16(22)12-20(19)21)24-18-9-4-15(5-10-18)14-2-7-17(23)8-3-14/h2-13,24H,1H3.
What are the key properties of N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline?
N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline has a molecular weight of 404.71 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline is sourced from PubChem (CID 71060075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).