2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide

C15H16BrNO3 — CID 106853385

IUPAC2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2ccoc2Br)o1
InChIInChI=1S/C15H16BrNO3/c1-9-7-12(9)13-4-3-10(20-13)8-17(2)15(18)11-5-6-19-14(11)16/h3-6,9,12H,7-8H2,1-2H3
InChIKeyGFJVNGCVMBGOLH-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.03
Rot. Bonds4

About 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide

2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide (PubChem CID 106853385) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
PubChem CID106853385
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide
SMILESCC1CC1c1ccc(CN(C)C(=O)c2ccoc2Br)o1
InChIInChI=1S/C15H16BrNO3/c1-9-7-12(9)13-4-3-10(20-13)8-17(2)15(18)11-5-6-19-14(11)16/h3-6,9,12H,7-8H2,1-2H3
InChIKeyGFJVNGCVMBGOLH-UHFFFAOYSA-N
XLogP4.03
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697652
4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697653
5-iodo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]thiophene-3-carboxamide
CID 78949487
N-methyl-N-[2-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 94150490
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60701418
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001595
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
CID 79345361
5-hydroxy-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentanamide
CID 79191839
5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
CID 37155018
4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide
CID 94016909

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide (CID 106853385) is 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide is CC1CC1c1ccc(CN(C)C(=O)c2ccoc2Br)o1.
What is the InChIKey of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide?
The InChIKey is GFJVNGCVMBGOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-9-7-12(9)13-4-3-10(20-13)8-17(2)15(18)11-5-6-19-14(11)16/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide?
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106853385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).