4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline

C13H9BrF3N — CID 43658804

IUPAC4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCc1cccc(F)c1F
InChIInChI=1S/C13H9BrF3N/c14-9-4-5-12(11(16)6-9)18-7-8-2-1-3-10(15)13(8)17/h1-6,18H,7H2
InChIKeyJDBXJMXATGDXNX-UHFFFAOYSA-N
MW316.12 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline

4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline (PubChem CID 43658804) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
PubChem CID43658804
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCc1cccc(F)c1F
InChIInChI=1S/C13H9BrF3N/c14-9-4-5-12(11(16)6-9)18-7-8-2-1-3-10(15)13(8)17/h1-6,18H,7H2
InChIKeyJDBXJMXATGDXNX-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-bromo-2-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 103913692
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2-fluoroaniline
CID 43583401
4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102909203
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
2-[(4-bromo-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026824
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
3-[(2,4-dibromoanilino)methyl]-2-fluorobenzonitrile
CID 107114487

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline (CID 43658804) is 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline is Fc1cc(Br)ccc1NCc1cccc(F)c1F.
What is the InChIKey of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline?
The InChIKey is JDBXJMXATGDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-9-4-5-12(11(16)6-9)18-7-8-2-1-3-10(15)13(8)17/h1-6,18H,7H2.
What are the key properties of 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline?
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline has a molecular weight of 316.12 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43658804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).