N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline

C15H14BrF2N — CID 79706205

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1cc(F)cc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-2-19(15-6-4-3-5-14(15)18)10-11-7-12(16)9-13(17)8-11/h3-9H,2,10H2,1H3
InChIKeyZJOWPOQLZAUBNE-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.75
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline

N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline (PubChem CID 79706205) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
PubChem CID79706205
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1cc(F)cc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-2-19(15-6-4-3-5-14(15)18)10-11-7-12(16)9-13(17)8-11/h3-9H,2,10H2,1H3
InChIKeyZJOWPOQLZAUBNE-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline (CID 79706205) is N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1cc(F)cc(Br)c1)c1ccccc1F.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is ZJOWPOQLZAUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-19(15-6-4-3-5-14(15)18)10-11-7-12(16)9-13(17)8-11/h3-9H,2,10H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline?
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 326.18 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 79706205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).