3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline

C15H10Cl2FNO — CID 82759642

IUPAC3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H10Cl2FNO/c16-11-5-3-6-12(14(11)18)19-8-10-9-4-1-2-7-13(9)20-15(10)17/h1-7,19H,8H2
InChIKeyHDRUKAWNOUHJLN-UHFFFAOYSA-N
MW310.16 g/mol
LogP5.49
Rot. Bonds3

About 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline

3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline (PubChem CID 82759642) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline
PubChem CID82759642
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC Name3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H10Cl2FNO/c16-11-5-3-6-12(14(11)18)19-8-10-9-4-1-2-7-13(9)20-15(10)17/h1-7,19H,8H2
InChIKeyHDRUKAWNOUHJLN-UHFFFAOYSA-N
XLogP5.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.16
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline?
The IUPAC name of 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline (CID 82759642) is 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline is Fc1c(Cl)cccc1NCc1c(Cl)oc2ccccc12.
What is the InChIKey of 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline?
The InChIKey is HDRUKAWNOUHJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-11-5-3-6-12(14(11)18)19-8-10-9-4-1-2-7-13(9)20-15(10)17/h1-7,19H,8H2.
What are the key properties of 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline?
3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline has a molecular weight of 310.16 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 82759642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).