2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline

C14H11BrClF2N — CID 107633412

IUPAC2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)ccc1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrClF2N/c1-8(11-4-2-9(17)6-13(11)16)19-14-7-10(18)3-5-12(14)15/h2-8,19H,1H3
InChIKeyVPNURRCLOJCJTC-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.55
Rot. Bonds3

About 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline

2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline (PubChem CID 107633412) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
PubChem CID107633412
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)ccc1Br)c1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrClF2N/c1-8(11-4-2-9(17)6-13(11)16)19-14-7-10(18)3-5-12(14)15/h2-8,19H,1H3
InChIKeyVPNURRCLOJCJTC-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
3-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452652
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
N-[1-(4-bromo-2-chlorophenyl)ethyl]-5-fluoro-2-nitroaniline
CID 82775391
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline (CID 107633412) is 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline is CC(Nc1cc(F)ccc1Br)c1ccc(F)cc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline?
The InChIKey is VPNURRCLOJCJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8(11-4-2-9(17)6-13(11)16)19-14-7-10(18)3-5-12(14)15/h2-8,19H,1H3.
What are the key properties of 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline?
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline has a molecular weight of 346.60 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).