1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide

C15H13BrN2O3 — CID 18587986

IUPAC1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O3/c1-17-14(19)11-8-9-4-2-3-5-10(9)18(11)15(20)12-6-7-13(16)21-12/h2-7,11H,8H2,1H3,(H,17,19)
InChIKeyFHMQWHHTWAKJRH-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.36
Rot. Bonds2

About 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide

1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18587986) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID18587986
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O3/c1-17-14(19)11-8-9-4-2-3-5-10(9)18(11)15(20)12-6-7-13(16)21-12/h2-7,11H,8H2,1H3,(H,17,19)
InChIKeyFHMQWHHTWAKJRH-UHFFFAOYSA-N
XLogP2.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide (CID 18587986) is 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is FHMQWHHTWAKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-17-14(19)11-8-9-4-2-3-5-10(9)18(11)15(20)12-6-7-13(16)21-12/h2-7,11H,8H2,1H3,(H,17,19).
What are the key properties of 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).