1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone

C14H11BrN2O4 — CID 112536934

IUPAC1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CCc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C14H11BrN2O4/c15-10-6-9-3-4-16(14(9)12(7-10)17(19)20)13(18)8-11-2-1-5-21-11/h1-2,5-7H,3-4,8H2
InChIKeyGRDAKGVNPQTXHZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.08
Rot. Bonds3

About 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone

1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone (PubChem CID 112536934) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone
PubChem CID112536934
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CCc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C14H11BrN2O4/c15-10-6-9-3-4-16(14(9)12(7-10)17(19)20)13(18)8-11-2-1-5-21-11/h1-2,5-7H,3-4,8H2
InChIKeyGRDAKGVNPQTXHZ-UHFFFAOYSA-N
XLogP3.08
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-phenoxyethanone
CID 112537015
1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-3-(dimethylamino)propan-1-one
CID 112536945
(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-(3,4-dimethylphenyl)methanone
CID 112536983
5-bromo-1-ethyl-7-nitro-2,3-dihydroindole
CID 10564019
1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
CID 112537046
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37159430
5-bromo-1-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3243098
5,7-dinitro-2,3-dihydroindole-1-carbonyl chloride
CID 23649532
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone
CID 112536660
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 5016410

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone (CID 112536934) is 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)N1CCc2cc(Br)cc([N+](=O)[O-])c21.
What is the InChIKey of 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone?
The InChIKey is GRDAKGVNPQTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c15-10-6-9-3-4-16(14(9)12(7-10)17(19)20)13(18)8-11-2-1-5-21-11/h1-2,5-7H,3-4,8H2.
What are the key properties of 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone?
1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone has a molecular weight of 351.16 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 112536934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).