N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline

C14H12BrClFNO — CID 65324117

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
SMILESCOc1ccc(Br)c(CNc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-11-3-4-12(15)9(6-11)8-18-10-2-5-13(16)14(17)7-10/h2-7,18H,8H2,1H3
InChIKeyQJAJYKIGSCICDJ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline

N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline (PubChem CID 65324117) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
PubChem CID65324117
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
SMILESCOc1ccc(Br)c(CNc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-11-3-4-12(15)9(6-11)8-18-10-2-5-13(16)14(17)7-10/h2-7,18H,8H2,1H3
InChIKeyQJAJYKIGSCICDJ-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-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585589

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline (CID 65324117) is N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline is COc1ccc(Br)c(CNc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline?
The InChIKey is QJAJYKIGSCICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-11-3-4-12(15)9(6-11)8-18-10-2-5-13(16)14(17)7-10/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline?
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline 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-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline is sourced from PubChem (CID 65324117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).