5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide

C10H11BrFNO3 — CID 126856207

IUPAC5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H11BrFNO3/c1-13(7-5-15-4-6(7)12)10(14)8-2-3-9(11)16-8/h2-3,6-7H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyXJZWPWBDKJDTAW-RNFRBKRXSA-N
MW292.10 g/mol
LogP1.85
Rot. Bonds2

About 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide

5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide (PubChem CID 126856207) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide
PubChem CID126856207
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H11BrFNO3/c1-13(7-5-15-4-6(7)12)10(14)8-2-3-9(11)16-8/h2-3,6-7H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyXJZWPWBDKJDTAW-RNFRBKRXSA-N
XLogP1.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1R,2R)-2-fluorocyclopentyl]-N-methylfuran-2-carboxamide
CID 126856171
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 55028576
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
CID 60725134
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
CID 2337336
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
5-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60725330
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide (CID 126856207) is 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Br)o1)[C@@H]1COC[C@H]1F.
What is the InChIKey of 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide?
The InChIKey is XJZWPWBDKJDTAW-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c1-13(7-5-15-4-6(7)12)10(14)8-2-3-9(11)16-8/h2-3,6-7H,4-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide?
5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide has a molecular weight of 292.10 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 126856207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).