3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline

C14H12BrClFNO — CID 43234012

IUPAC3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1cccc(F)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-14-12(15)6-10(16)7-13(14)18-8-9-3-2-4-11(17)5-9/h2-7,18H,8H2,1H3
InChIKeyMNBRPGYCSYHWBG-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

About 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline

3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline (PubChem CID 43234012) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
PubChem CID43234012
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1cccc(F)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-14-12(15)6-10(16)7-13(14)18-8-9-3-2-4-11(17)5-9/h2-7,18H,8H2,1H3
InChIKeyMNBRPGYCSYHWBG-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline (CID 43234012) is 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NCc1cccc(F)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline?
The InChIKey is MNBRPGYCSYHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-14-12(15)6-10(16)7-13(14)18-8-9-3-2-4-11(17)5-9/h2-7,18H,8H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline has a molecular weight of 344.61 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(3-fluorophenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 43234012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).