5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide

C10H13BrN2O3 — CID 38020247

IUPAC5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1coc(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-3-12-9(14)6(2)13-10(15)7-4-8(11)16-5-7/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)/t6-/m1/s1
InChIKeyBVXLWNSITXNHEK-ZCFIWIBFSA-N
MW289.13 g/mol
LogP1.30
Rot. Bonds4

About 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide

5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 38020247) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID38020247
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1coc(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-3-12-9(14)6(2)13-10(15)7-4-8(11)16-5-7/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)/t6-/m1/s1
InChIKeyBVXLWNSITXNHEK-ZCFIWIBFSA-N
XLogP1.30
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide (CID 38020247) is 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide is CCNC(=O)[C@@H](C)NC(=O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is BVXLWNSITXNHEK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-3-12-9(14)6(2)13-10(15)7-4-8(11)16-5-7/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)/t6-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 38020247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).