N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline

C15H14BrClFNO — CID 63450944

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NCc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrClFNO/c1-2-20-15-6-5-12(17)8-14(15)19-9-10-3-4-11(16)7-13(10)18/h3-8,19H,2,9H2,1H3
InChIKeyMOYCPCWGEQWWFQ-UHFFFAOYSA-N
MW358.64 g/mol
LogP5.25
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline

N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline (PubChem CID 63450944) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
PubChem CID63450944
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NCc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrClFNO/c1-2-20-15-6-5-12(17)8-14(15)19-9-10-3-4-11(16)7-13(10)18/h3-8,19H,2,9H2,1H3
InChIKeyMOYCPCWGEQWWFQ-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
N-[(4-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 114841875

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline (CID 63450944) is N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline is CCOc1ccc(Cl)cc1NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline?
The InChIKey is MOYCPCWGEQWWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-2-20-15-6-5-12(17)8-14(15)19-9-10-3-4-11(16)7-13(10)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline has a molecular weight of 358.64 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline is sourced from PubChem (CID 63450944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).