4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline

C14H10BrCl2F2N — CID 107787506

IUPAC4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)c(Cl)c1Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrCl2F2N/c1-7(8-4-9(18)6-10(19)5-8)20-12-3-2-11(15)13(16)14(12)17/h2-7,20H,1H3
InChIKeyQKVVOWBLBBJXMV-UHFFFAOYSA-N
MW381.05 g/mol
LogP6.21
Rot. Bonds3

About 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline

4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline (PubChem CID 107787506) has the molecular formula C14H10BrCl2F2N and a molecular weight of 381.05 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
PubChem CID107787506
Molecular FormulaC14H10BrCl2F2N
Molecular Weight381.05 g/mol
Exact Mass378.93
IUPAC Name4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)c(Cl)c1Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrCl2F2N/c1-7(8-4-9(18)6-10(19)5-8)20-12-3-2-11(15)13(16)14(12)17/h2-7,20H,1H3
InChIKeyQKVVOWBLBBJXMV-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.05
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,3-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 107788093
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 107787554
4-bromo-2,3-dichloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 107787470
4-bromo-2,3-dichloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107787865
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
4-bromo-2,3-dichloro-N-[1-(3-fluorophenyl)propyl]aniline
CID 107787553
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
4-bromo-2,3-dichloro-N-[cyclopropyl-(4-fluorophenyl)methyl]aniline
CID 107787702
4-bromo-2,3-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 107787895
3-(4-bromo-2,3-dichloroanilino)butan-2-ol
CID 107788804

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline (CID 107787506) is 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline is CC(Nc1ccc(Br)c(Cl)c1Cl)c1cc(F)cc(F)c1.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline?
The InChIKey is QKVVOWBLBBJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F2N/c1-7(8-4-9(18)6-10(19)5-8)20-12-3-2-11(15)13(16)14(12)17/h2-7,20H,1H3.
What are the key properties of 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline?
4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline has a molecular weight of 381.05 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline is sourced from PubChem (CID 107787506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).