N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide

C21H17BrN2O3 — CID 53043824

IUPACN-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccc(Br)o1
InChIInChI=1S/C21H17BrN2O3/c22-19-9-8-18(27-19)20(25)23-13-14-6-7-15-10-11-24(17(15)12-14)21(26)16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,23,25)
InChIKeyLVMMYEMQEMCYGS-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.18
Rot. Bonds4

About N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide

N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide (PubChem CID 53043824) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
PubChem CID53043824
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC NameN-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccc(Br)o1
InChIInChI=1S/C21H17BrN2O3/c22-19-9-8-18(27-19)20(25)23-13-14-6-7-15-10-11-24(17(15)12-14)21(26)16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,23,25)
InChIKeyLVMMYEMQEMCYGS-UHFFFAOYSA-N
XLogP4.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
CID 53099329
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-fluorobenzamide
CID 53099088
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
CID 53099481
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
5-bromo-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55708979
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide (CID 53043824) is N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide is O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccc(Br)o1.
What is the InChIKey of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide?
The InChIKey is LVMMYEMQEMCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-19-9-8-18(27-19)20(25)23-13-14-6-7-15-10-11-24(17(15)12-14)21(26)16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,23,25).
What are the key properties of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide?
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide has a molecular weight of 425.28 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 53043824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).