[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C15H14BrNO4 — CID 55385781

IUPAC[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OC(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO4/c1-9-13(7-8-20-9)15(19)21-10(2)14(18)17-12-5-3-11(16)4-6-12/h3-8,10H,1-2H3,(H,17,18)
InChIKeyFAWZQZNXNLWMMV-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.53
Rot. Bonds4

About [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 55385781) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID55385781
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OC(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO4/c1-9-13(7-8-20-9)15(19)21-10(2)14(18)17-12-5-3-11(16)4-6-12/h3-8,10H,1-2H3,(H,17,18)
InChIKeyFAWZQZNXNLWMMV-UHFFFAOYSA-N
XLogP3.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968580
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 18197418
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-methylfuran-3-carboxylate
CID 8968505
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7765177
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384659
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567895
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 46822727
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968551
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11926974
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2,5-dichlorothiophene-3-carboxylate
CID 55368206

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 55385781) is [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OC(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is FAWZQZNXNLWMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-9-13(7-8-20-9)15(19)21-10(2)14(18)17-12-5-3-11(16)4-6-12/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 352.18 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 55385781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).