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

C22H19BrN2O3 — CID 53099329

IUPAC5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(C(=O)N2CCc3ccc(CNC(=O)c4ccc(Br)o4)cc32)c1
InChIInChI=1S/C22H19BrN2O3/c1-14-3-2-4-17(11-14)22(27)25-10-9-16-6-5-15(12-18(16)25)13-24-21(26)19-7-8-20(23)28-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,26)
InChIKeyVOYIRWDGSMXBNC-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.48
Rot. Bonds4

About 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide

5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide (PubChem CID 53099329) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
PubChem CID53099329
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
SMILESCc1cccc(C(=O)N2CCc3ccc(CNC(=O)c4ccc(Br)o4)cc32)c1
InChIInChI=1S/C22H19BrN2O3/c1-14-3-2-4-17(11-14)22(27)25-10-9-16-6-5-15(12-18(16)25)13-24-21(26)19-7-8-20(23)28-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,26)
InChIKeyVOYIRWDGSMXBNC-UHFFFAOYSA-N
XLogP4.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
CID 53043824
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102597
methyl 4-chloro-2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide (CID 53099329) is 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide is Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)c4ccc(Br)o4)cc32)c1.
What is the InChIKey of 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide?
The InChIKey is VOYIRWDGSMXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-14-3-2-4-17(11-14)22(27)25-10-9-16-6-5-15(12-18(16)25)13-24-21(26)19-7-8-20(23)28-19/h2-8,11-12H,9-10,13H2,1H3,(H,24,26).
What are the key properties of 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 53099329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).