ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate

C15H16BrNO3 — CID 104653374

IUPACethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO3/c1-3-19-14(18)15(2,12-9-10-13(16)20-12)17-11-7-5-4-6-8-11/h4-10,17H,3H2,1-2H3
InChIKeyLFSBQBRSHFRQDR-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.93
Rot. Bonds5

About ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate

ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate (PubChem CID 104653374) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate
PubChem CID104653374
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Nameethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO3/c1-3-19-14(18)15(2,12-9-10-13(16)20-12)17-11-7-5-4-6-8-11/h4-10,17H,3H2,1-2H3
InChIKeyLFSBQBRSHFRQDR-UHFFFAOYSA-N
XLogP3.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-bromofuran-2-yl)-2-(4-methylanilino)propanoate
CID 104653371
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
CID 59200602
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
ethyl 2-anilino-2-methylheptanoate
CID 80558019
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
triethyl [5-(1,3-diethoxy-2-ethoxycarbonyl-1,3-dioxopropan-2-yl)furan-2-yl]methanetricarboxylate
CID 15310502
diethyl 2-anilino-2-tert-butylperoxy-3-hydroxybutanedioate
CID 135036108
ethyl 2-anilino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868091
ethyl (3S)-3-amino-3-(5-bromofuran-2-yl)-2,2-difluoropropanoate
CID 171246277
2-(5-bromofuran-2-yl)-2-(cyclopropylmethylamino)propanamide
CID 104653364
ethyl (2R)-2-acetamido-2-anilino-3,3,3-trifluoropropanoate
CID 7037296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate?
The IUPAC name of ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate (CID 104653374) is ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate.
What is the SMILES notation for ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate?
The canonical SMILES for ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate is CCOC(=O)C(C)(Nc1ccccc1)c1ccc(Br)o1.
What is the InChIKey of ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate?
The InChIKey is LFSBQBRSHFRQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-3-19-14(18)15(2,12-9-10-13(16)20-12)17-11-7-5-4-6-8-11/h4-10,17H,3H2,1-2H3.
What are the key properties of ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate?
ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate has a molecular weight of 338.20 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate is sourced from PubChem (CID 104653374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).