5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide

C14H11BrN2O3 — CID 110667010

IUPAC5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide
SMILESCC1C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc21
InChIInChI=1S/C14H11BrN2O3/c1-7-9-6-8(2-3-10(9)17-13(7)18)16-14(19)11-4-5-12(15)20-11/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyZWQFPAASKNCVAM-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.35
Rot. Bonds2

About 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide

5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide (PubChem CID 110667010) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide
PubChem CID110667010
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide
SMILESCC1C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc21
InChIInChI=1S/C14H11BrN2O3/c1-7-9-6-8(2-3-10(9)17-13(7)18)16-14(19)11-4-5-12(15)20-11/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyZWQFPAASKNCVAM-UHFFFAOYSA-N
XLogP3.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857
2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405916
5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 46516497
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
CID 110405900
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide (CID 110667010) is 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide is CC1C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc21.
What is the InChIKey of 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide?
The InChIKey is ZWQFPAASKNCVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-7-9-6-8(2-3-10(9)17-13(7)18)16-14(19)11-4-5-12(15)20-11/h2-7H,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide?
5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 110667010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).