5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C12H17BrN2O3 — CID 94216568

IUPAC5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H17BrN2O3/c1-4-7(2)14-11(16)8(3)15-12(17)9-5-6-10(13)18-9/h5-8H,4H2,1-3H3,(H,14,16)(H,15,17)/t7-,8-/m1/s1
InChIKeyPHNGPUOKHKUWJX-HTQZYQBOSA-N
MW317.18 g/mol
LogP2.08
Rot. Bonds5

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

5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 94216568) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID94216568
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H17BrN2O3/c1-4-7(2)14-11(16)8(3)15-12(17)9-5-6-10(13)18-9/h5-8H,4H2,1-3H3,(H,14,16)(H,15,17)/t7-,8-/m1/s1
InChIKeyPHNGPUOKHKUWJX-HTQZYQBOSA-N
XLogP2.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573846
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 94216568) is 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is PHNGPUOKHKUWJX-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-4-7(2)14-11(16)8(3)15-12(17)9-5-6-10(13)18-9/h5-8H,4H2,1-3H3,(H,14,16)(H,15,17)/t7-,8-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 317.18 g/mol, XLogP of 2.08, 5 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-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 94216568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).