N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline

C13H10BrClFN — CID 28546140

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline
SMILESFc1ccc(Br)c(CNc2ccccc2Cl)c1
InChIInChI=1S/C13H10BrClFN/c14-11-6-5-10(16)7-9(11)8-17-13-4-2-1-3-12(13)15/h1-7,17H,8H2
InChIKeyIRMYINWOWXDYEN-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.85
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline (PubChem CID 28546140) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline
PubChem CID28546140
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline
SMILESFc1ccc(Br)c(CNc2ccccc2Cl)c1
InChIInChI=1S/C13H10BrClFN/c14-11-6-5-10(16)7-9(11)8-17-13-4-2-1-3-12(13)15/h1-7,17H,8H2
InChIKeyIRMYINWOWXDYEN-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline (CID 28546140) is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline is Fc1ccc(Br)c(CNc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline?
The InChIKey is IRMYINWOWXDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-11-6-5-10(16)7-9(11)8-17-13-4-2-1-3-12(13)15/h1-7,17H,8H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline?
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline has a molecular weight of 314.59 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloroaniline is sourced from PubChem (CID 28546140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).