N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide

C16H15BrN2O3 — CID 126801416

IUPACN-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCc2ccc(Br)cc21)c1ccco1
InChIInChI=1S/C16H15BrN2O3/c17-12-4-3-11-6-8-19(13(11)10-12)15(20)5-7-18-16(21)14-2-1-9-22-14/h1-4,9-10H,5-8H2,(H,18,21)
InChIKeyKLOAGKOZKPYIDL-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.75
Rot. Bonds4

About N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide

N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide (PubChem CID 126801416) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
PubChem CID126801416
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCc2ccc(Br)cc21)c1ccco1
InChIInChI=1S/C16H15BrN2O3/c17-12-4-3-11-6-8-19(13(11)10-12)15(20)5-7-18-16(21)14-2-1-9-22-14/h1-4,9-10H,5-8H2,(H,18,21)
InChIKeyKLOAGKOZKPYIDL-UHFFFAOYSA-N
XLogP2.75
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 126812802
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 78800817
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 38552373
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]furan-2-carboxamide
CID 120657817
2-(3-bromophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 112996350

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide (CID 126801416) is N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide is O=C(NCCC(=O)N1CCc2ccc(Br)cc21)c1ccco1.
What is the InChIKey of N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is KLOAGKOZKPYIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-12-4-3-11-6-8-19(13(11)10-12)15(20)5-7-18-16(21)14-2-1-9-22-14/h1-4,9-10H,5-8H2,(H,18,21).
What are the key properties of N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 363.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 126801416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).