5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide

C13H18BrNO3 — CID 167929645

IUPAC5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H18BrNO3/c1-8-6-10(14)18-11(8)12(16)15-9-4-5-17-13(2,3)7-9/h6,9H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyCQWLJRASJFYMTE-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.04
Rot. Bonds2

About 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide

5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide (PubChem CID 167929645) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
PubChem CID167929645
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H18BrNO3/c1-8-6-10(14)18-11(8)12(16)15-9-4-5-17-13(2,3)7-9/h6,9H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyCQWLJRASJFYMTE-UHFFFAOYSA-N
XLogP3.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
CID 47242145
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
2-bromo-5-[(2,2-dimethyloxan-4-yl)carbamoyl]furan-3-sulfonyl chloride
CID 83036283
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
CID 113378498
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide
CID 125144663
5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide
CID 167834233
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide (CID 167929645) is 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide?
The InChIKey is CQWLJRASJFYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-8-6-10(14)18-11(8)12(16)15-9-4-5-17-13(2,3)7-9/h6,9H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide?
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 167929645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).