2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid

C13H10BrNO4 — CID 16792434

IUPAC2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c14-10-7-6-9(19-10)12(16)15-11(13(17)18)8-4-2-1-3-5-8/h1-7,11H,(H,15,16)(H,17,18)
InChIKeyBODNWFMAUSHMCK-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.60
Rot. Bonds4

About 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid

2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 16792434) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID16792434
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c14-10-7-6-9(19-10)12(16)15-11(13(17)18)8-4-2-1-3-5-8/h1-7,11H,(H,15,16)(H,17,18)
InChIKeyBODNWFMAUSHMCK-UHFFFAOYSA-N
XLogP2.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768
(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
CID 61145316
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 30118248
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid (CID 16792434) is 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is BODNWFMAUSHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-10-7-6-9(19-10)12(16)15-11(13(17)18)8-4-2-1-3-5-8/h1-7,11H,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid?
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 324.13 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 16792434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).