N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide

C10H14BrNO3 — CID 106184775

IUPACN-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
SMILESCOCC(CBr)NC(=O)c1ccc(C)o1
InChIInChI=1S/C10H14BrNO3/c1-7-3-4-9(15-7)10(13)12-8(5-11)6-14-2/h3-4,8H,5-6H2,1-2H3,(H,12,13)
InChIKeyBTPOPJXOQMUPLW-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.73
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide

N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 106184775) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
PubChem CID106184775
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
SMILESCOCC(CBr)NC(=O)c1ccc(C)o1
InChIInChI=1S/C10H14BrNO3/c1-7-3-4-9(15-7)10(13)12-8(5-11)6-14-2/h3-4,8H,5-6H2,1-2H3,(H,12,13)
InChIKeyBTPOPJXOQMUPLW-UHFFFAOYSA-N
XLogP1.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide
CID 106184442
N-(1-bromo-3-methoxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106184484
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
N-(1-bromo-3-methoxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 106184353
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 114155384
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
CID 106160982

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide (CID 106184775) is N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide is COCC(CBr)NC(=O)c1ccc(C)o1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is BTPOPJXOQMUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-7-3-4-9(15-7)10(13)12-8(5-11)6-14-2/h3-4,8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide?
N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 106184775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).