(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone

C19H18BrFN2O3 — CID 139002452

IUPAC(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2COCCN2C(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1
InChIInChI=1S/C19H18BrFN2O3/c1-2-12-3-4-18(26-12)17-10-25-6-5-23(17)19(24)16-9-13-14(21)7-11(20)8-15(13)22-16/h3-4,7-9,17,22H,2,5-6,10H2,1H3
InChIKeyYKXROWLBBPYFCZ-UHFFFAOYSA-N
MW421.27 g/mol
LogP4.44
Rot. Bonds3

About (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone

(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone (PubChem CID 139002452) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
PubChem CID139002452
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC Name(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2COCCN2C(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1
InChIInChI=1S/C19H18BrFN2O3/c1-2-12-3-4-18(26-12)17-10-25-6-5-23(17)19(24)16-9-13-14(21)7-11(20)8-15(13)22-16/h3-4,7-9,17,22H,2,5-6,10H2,1H3
InChIKeyYKXROWLBBPYFCZ-UHFFFAOYSA-N
XLogP4.44
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 139004982
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 139002397
(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002451
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 119185550
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 102557628
5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124683969
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 97059417
[3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 71911578

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone (CID 139002452) is (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone is CCc1ccc(C2COCCN2C(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1.
What is the InChIKey of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The InChIKey is YKXROWLBBPYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c1-2-12-3-4-18(26-12)17-10-25-6-5-23(17)19(24)16-9-13-14(21)7-11(20)8-15(13)22-16/h3-4,7-9,17,22H,2,5-6,10H2,1H3.
What are the key properties of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone has a molecular weight of 421.27 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 139002452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).