5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide

C12H16BrNO3 — CID 91914813

IUPAC5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Br)o2)CCOCC1
InChIInChI=1S/C12H16BrNO3/c1-12(4-6-16-7-5-12)8-14-11(15)9-2-3-10(13)17-9/h2-3H,4-8H2,1H3,(H,14,15)
InChIKeyWVMKXAFGSHMUFS-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide

5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide (PubChem CID 91914813) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
PubChem CID91914813
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Br)o2)CCOCC1
InChIInChI=1S/C12H16BrNO3/c1-12(4-6-16-7-5-12)8-14-11(15)9-2-3-10(13)17-9/h2-3H,4-8H2,1H3,(H,14,15)
InChIKeyWVMKXAFGSHMUFS-UHFFFAOYSA-N
XLogP2.59
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 79515242
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide (CID 91914813) is 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide is CC1(CNC(=O)c2ccc(Br)o2)CCOCC1.
What is the InChIKey of 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide?
The InChIKey is WVMKXAFGSHMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-12(4-6-16-7-5-12)8-14-11(15)9-2-3-10(13)17-9/h2-3H,4-8H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 91914813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).