N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline

C14H12BrClFNO — CID 28551526

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-14-5-3-10(16)7-13(14)18-8-9-2-4-12(17)11(15)6-9/h2-7,18H,8H2,1H3
InChIKeyFUFHEFIZHDNJNO-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline

N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline (PubChem CID 28551526) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline
PubChem CID28551526
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-14-5-3-10(16)7-13(14)18-8-9-2-4-12(17)11(15)6-9/h2-7,18H,8H2,1H3
InChIKeyFUFHEFIZHDNJNO-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

Analyze N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline (CID 28551526) is N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
The InChIKey is FUFHEFIZHDNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-14-5-3-10(16)7-13(14)18-8-9-2-4-12(17)11(15)6-9/h2-7,18H,8H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-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 N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-methoxyaniline is sourced from PubChem (CID 28551526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).