2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline

C13H10BrClFN — CID 107633361

IUPAC2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
SMILESFc1ccc(Br)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C13H10BrClFN/c14-11-6-5-10(16)7-13(11)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2
InChIKeyWMFJMQTWERGYIK-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.85
Rot. Bonds3

About 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline

2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline (PubChem CID 107633361) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
PubChem CID107633361
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
SMILESFc1ccc(Br)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C13H10BrClFN/c14-11-6-5-10(16)7-13(11)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2
InChIKeyWMFJMQTWERGYIK-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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Related Compounds

2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
2-[(2-bromo-5-fluoroanilino)methyl]-3-chlorophenol
CID 107633445
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
2-bromo-5-fluoro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 107632860
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
2-bromo-5-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107633184
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
methyl 2-[(2-bromo-5-fluoroanilino)methyl]benzoate
CID 107632975
2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
CID 81263519

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline (CID 107633361) is 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline is Fc1ccc(Br)c(NCc2ccccc2Cl)c1.
What is the InChIKey of 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline?
The InChIKey is WMFJMQTWERGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-11-6-5-10(16)7-13(11)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2.
What are the key properties of 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline?
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline 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 2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107633361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).