3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline

C11H7Br2ClFNO — CID 63421913

IUPAC3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H7Br2ClFNO/c12-7-4-6(17-11(7)13)5-16-9-3-1-2-8(14)10(9)15/h1-4,16H,5H2
InChIKeyAPGLRHWVYKMNEJ-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.21
Rot. Bonds3

About 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline

3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline (PubChem CID 63421913) has the molecular formula C11H7Br2ClFNO and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
PubChem CID63421913
Molecular FormulaC11H7Br2ClFNO
Molecular Weight383.44 g/mol
Exact Mass380.86
IUPAC Name3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H7Br2ClFNO/c12-7-4-6(17-11(7)13)5-16-9-3-1-2-8(14)10(9)15/h1-4,16H,5H2
InChIKeyAPGLRHWVYKMNEJ-UHFFFAOYSA-N
XLogP5.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-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

5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
CID 62086085
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
CID 81436139
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
2,4,6-trichloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 63425788
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-5-methoxyaniline
CID 55033030
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 62084497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline (CID 63421913) is 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline is Fc1c(Cl)cccc1NCc1cc(Br)c(Br)o1.
What is the InChIKey of 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
The InChIKey is APGLRHWVYKMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClFNO/c12-7-4-6(17-11(7)13)5-16-9-3-1-2-8(14)10(9)15/h1-4,16H,5H2.
What are the key properties of 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline has a molecular weight of 383.44 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 63421913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).