5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide

C21H17BrN2O3 — CID 112835756

IUPAC5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
SMILESCc1cccc2c1N(C(=O)c1cccc(NC(=O)c3ccc(Br)o3)c1)CC2
InChIInChI=1S/C21H17BrN2O3/c1-13-4-2-5-14-10-11-24(19(13)14)21(26)15-6-3-7-16(12-15)23-20(25)17-8-9-18(22)27-17/h2-9,12H,10-11H2,1H3,(H,23,25)
InChIKeyGBBSGODIAYPBTC-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.81
Rot. Bonds3

About 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide

5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 112835756) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID112835756
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
SMILESCc1cccc2c1N(C(=O)c1cccc(NC(=O)c3ccc(Br)o3)c1)CC2
InChIInChI=1S/C21H17BrN2O3/c1-13-4-2-5-14-10-11-24(19(13)14)21(26)15-6-3-7-16(12-15)23-20(25)17-8-9-18(22)27-17/h2-9,12H,10-11H2,1H3,(H,23,25)
InChIKeyGBBSGODIAYPBTC-UHFFFAOYSA-N
XLogP4.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide (CID 112835756) is 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide is Cc1cccc2c1N(C(=O)c1cccc(NC(=O)c3ccc(Br)o3)c1)CC2.
What is the InChIKey of 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is GBBSGODIAYPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-13-4-2-5-14-10-11-24(19(13)14)21(26)15-6-3-7-16(12-15)23-20(25)17-8-9-18(22)27-17/h2-9,12H,10-11H2,1H3,(H,23,25).
What are the key properties of 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 425.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 112835756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).