5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide

C15H13BrN2O2 — CID 110794088

IUPAC5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2/c1-9-11(10-4-2-3-5-12(10)18-9)8-17-15(19)13-6-7-14(16)20-13/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyDXSRDGHIDSWWSE-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide

5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide (PubChem CID 110794088) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
PubChem CID110794088
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2/c1-9-11(10-4-2-3-5-12(10)18-9)8-17-15(19)13-6-7-14(16)20-13/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyDXSRDGHIDSWWSE-UHFFFAOYSA-N
XLogP3.76
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2412811
5-bromo-N-[3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 3913152
(5-bromofuran-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 43463185
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide (CID 110794088) is 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide is Cc1[nH]c2ccccc2c1CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is DXSRDGHIDSWWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-9-11(10-4-2-3-5-12(10)18-9)8-17-15(19)13-6-7-14(16)20-13/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110794088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).