(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone

C15H14BrNO3 — CID 56788508

IUPAC(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3ccc(Br)cc32)o1
InChIInChI=1S/C15H14BrNO3/c1-19-9-12-4-5-14(20-12)15(18)17-7-6-10-2-3-11(16)8-13(10)17/h2-5,8H,6-7,9H2,1H3
InChIKeyQUQKYYADAOJLSZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.39
Rot. Bonds3

About (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone

(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 56788508) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID56788508
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3ccc(Br)cc32)o1
InChIInChI=1S/C15H14BrNO3/c1-19-9-12-4-5-14(20-12)15(18)17-7-6-10-2-3-11(16)8-13(10)17/h2-5,8H,6-7,9H2,1H3
InChIKeyQUQKYYADAOJLSZ-UHFFFAOYSA-N
XLogP3.39
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 1017781
(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 114368760
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone
CID 56788362
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone (CID 56788508) is (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCc3ccc(Br)cc32)o1.
What is the InChIKey of (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is QUQKYYADAOJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-9-12-4-5-14(20-12)15(18)17-7-6-10-2-3-11(16)8-13(10)17/h2-5,8H,6-7,9H2,1H3.
What are the key properties of (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 336.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 56788508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).