2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C14H12BrClFNOS — CID 102846174

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)c(Cl)s2)Oc2cc(F)ccc21
InChIInChI=1S/C14H12BrClFNOS/c1-18-10-6-12(13-5-9(15)14(16)20-13)19-11-4-7(17)2-3-8(10)11/h2-5,10,12,18H,6H2,1H3
InChIKeyQGKATDZGOIXLIX-UHFFFAOYSA-N
MW376.68 g/mol
LogP5.09
Rot. Bonds2

About 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102846174) has the molecular formula C14H12BrClFNOS and a molecular weight of 376.68 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID102846174
Molecular FormulaC14H12BrClFNOS
Molecular Weight376.68 g/mol
Exact Mass374.95
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)c(Cl)s2)Oc2cc(F)ccc21
InChIInChI=1S/C14H12BrClFNOS/c1-18-10-6-12(13-5-9(15)14(16)20-13)19-11-4-7(17)2-3-8(10)11/h2-5,10,12,18H,6H2,1H3
InChIKeyQGKATDZGOIXLIX-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.68
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
2-(5-bromothiophen-2-yl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710588
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 102846179
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 102846174) is 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cc(Br)c(Cl)s2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QGKATDZGOIXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNOS/c1-18-10-6-12(13-5-9(15)14(16)20-13)19-11-4-7(17)2-3-8(10)11/h2-5,10,12,18H,6H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 376.68 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102846174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).