6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H11BrCl2FNO — CID 83078339

IUPAC6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1cc(Cl)c(NC2CCOc3ccc(Br)cc32)c(Cl)c1
InChIInChI=1S/C15H11BrCl2FNO/c16-8-1-2-14-10(5-8)13(3-4-21-14)20-15-11(17)6-9(19)7-12(15)18/h1-2,5-7,13,20H,3-4H2
InChIKeyAHSTWJYLUZWKQN-UHFFFAOYSA-N
MW391.07 g/mol
LogP5.83
Rot. Bonds2

About 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 83078339) has the molecular formula C15H11BrCl2FNO and a molecular weight of 391.07 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID83078339
Molecular FormulaC15H11BrCl2FNO
Molecular Weight391.07 g/mol
Exact Mass388.94
IUPAC Name6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1cc(Cl)c(NC2CCOc3ccc(Br)cc32)c(Cl)c1
InChIInChI=1S/C15H11BrCl2FNO/c16-8-1-2-14-10(5-8)13(3-4-21-14)20-15-11(17)6-9(19)7-12(15)18/h1-2,5-7,13,20H,3-4H2
InChIKeyAHSTWJYLUZWKQN-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.07
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol
CID 107678719
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43347570
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-fluorobenzonitrile
CID 62316798
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine
CID 133295805
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 83078339) is 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is Fc1cc(Cl)c(NC2CCOc3ccc(Br)cc32)c(Cl)c1.
What is the InChIKey of 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AHSTWJYLUZWKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2FNO/c16-8-1-2-14-10(5-8)13(3-4-21-14)20-15-11(17)6-9(19)7-12(15)18/h1-2,5-7,13,20H,3-4H2.
What are the key properties of 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 391.07 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 83078339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).