[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

C16H15BrN2O5 — CID 3677015

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H15BrN2O5/c1-9(23-16(22)13-7-8-14(17)24-13)15(21)19-12-5-3-11(4-6-12)18-10(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyARGJKODUQYHUAD-UHFFFAOYSA-N
MW395.21 g/mol
LogP3.18
Rot. Bonds5

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (PubChem CID 3677015) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
PubChem CID3677015
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H15BrN2O5/c1-9(23-16(22)13-7-8-14(17)24-13)15(21)19-12-5-3-11(4-6-12)18-10(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyARGJKODUQYHUAD-UHFFFAOYSA-N
XLogP3.18
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 5123000
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 2573897
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 46618582
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 23824731
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-bromofuran-2-carboxylate
CID 7716872
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 18777352
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 2628765
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868669
[1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 42963136
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476764
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 5-bromofuran-2-carboxylate
CID 7716869
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 8014119

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (CID 3677015) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The InChIKey is ARGJKODUQYHUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-9(23-16(22)13-7-8-14(17)24-13)15(21)19-12-5-3-11(4-6-12)18-10(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate has a molecular weight of 395.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 3677015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).