2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline

C15H12BrClFNO — CID 107611357

IUPAC2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
SMILESFc1cc(Cl)c(NCC2COc3ccccc32)c(Br)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-5-10(18)6-13(17)15(12)19-7-9-8-20-14-4-2-1-3-11(9)14/h1-6,9,19H,7-8H2
InChIKeyGAFPKLVZLUHWAR-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.83
Rot. Bonds3

About 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline

2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline (PubChem CID 107611357) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
PubChem CID107611357
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
SMILESFc1cc(Cl)c(NCC2COc3ccccc32)c(Br)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-5-10(18)6-13(17)15(12)19-7-9-8-20-14-4-2-1-3-11(9)14/h1-6,9,19H,7-8H2
InChIKeyGAFPKLVZLUHWAR-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
2-bromo-6-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107611468
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79218778
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
CID 107635746
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 79218652
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
CID 107611463
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline (CID 107611357) is 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline is Fc1cc(Cl)c(NCC2COc3ccccc32)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline?
The InChIKey is GAFPKLVZLUHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-5-10(18)6-13(17)15(12)19-7-9-8-20-14-4-2-1-3-11(9)14/h1-6,9,19H,7-8H2.
What are the key properties of 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline?
2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline has a molecular weight of 356.62 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline is sourced from PubChem (CID 107611357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).