(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine

C13H10BrCl2NOS — CID 102846110

IUPAC(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cc(Br)c(Cl)s2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H10BrCl2NOS/c14-8-4-12(19-13(8)16)11-5-9(17)7-3-6(15)1-2-10(7)18-11/h1-4,9,11H,5,17H2/t9-,11?/m1/s1
InChIKeyZDPSFUOEWBHNML-BFHBGLAWSA-N
MW379.11 g/mol
LogP5.34
Rot. Bonds1

About (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102846110) has the molecular formula C13H10BrCl2NOS and a molecular weight of 379.11 g/mol. Its IUPAC name is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID102846110
Molecular FormulaC13H10BrCl2NOS
Molecular Weight379.11 g/mol
Exact Mass376.90
IUPAC Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cc(Br)c(Cl)s2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H10BrCl2NOS/c14-8-4-12(19-13(8)16)11-5-9(17)7-3-6(15)1-2-10(7)18-11/h1-4,9,11H,5,17H2/t9-,11?/m1/s1
InChIKeyZDPSFUOEWBHNML-BFHBGLAWSA-N
XLogP5.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.11
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067
(4S)-6-chloro-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107126233
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine (CID 102846110) is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2cc(Br)c(Cl)s2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZDPSFUOEWBHNML-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H10BrCl2NOS/c14-8-4-12(19-13(8)16)11-5-9(17)7-3-6(15)1-2-10(7)18-11/h1-4,9,11H,5,17H2/t9-,11?/m1/s1.
What are the key properties of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 379.11 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102846110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).