2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide

C8H10BrNO3 — CID 106854999

IUPAC2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccoc1Br
InChIInChI=1S/C8H10BrNO3/c1-5(4-11)10-8(12)6-2-3-13-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyNJKSGNBBTHKKKQ-RXMQYKEDSA-N
MW248.08 g/mol
LogP1.15
Rot. Bonds3

About 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide

2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide (PubChem CID 106854999) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
PubChem CID106854999
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccoc1Br
InChIInChI=1S/C8H10BrNO3/c1-5(4-11)10-8(12)6-2-3-13-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyNJKSGNBBTHKKKQ-RXMQYKEDSA-N
XLogP1.15
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
diethyl 2-[(2-bromofuran-3-carbonyl)amino]propanedioate
CID 106855266
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide (CID 106854999) is 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide is C[C@H](CO)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide?
The InChIKey is NJKSGNBBTHKKKQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-5(4-11)10-8(12)6-2-3-13-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide?
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide has a molecular weight of 248.08 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 106854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).