[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate

C17H15BrN2O4 — CID 7959903

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate
SMILESC[C@@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H15BrN2O4/c1-10(24-17(23)12-3-2-4-13(18)9-12)16(22)20-14-7-5-11(6-8-14)15(19)21/h2-10H,1H3,(H2,19,21)(H,20,22)/t10-/m1/s1
InChIKeyJDJULZZIBMZNSF-SNVBAGLBSA-N
MW391.22 g/mol
LogP2.73
Rot. Bonds5

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate (PubChem CID 7959903) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate
PubChem CID7959903
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate
SMILESC[C@@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H15BrN2O4/c1-10(24-17(23)12-3-2-4-13(18)9-12)16(22)20-14-7-5-11(6-8-14)15(19)21/h2-10H,1H3,(H2,19,21)(H,20,22)/t10-/m1/s1
InChIKeyJDJULZZIBMZNSF-SNVBAGLBSA-N
XLogP2.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7709562
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate
CID 154754103
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890211
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8803967
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717162
[(2S)-1-(2,6-diethylanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7709084
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 26004569
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate (CID 7959903) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate is C[C@@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate?
The InChIKey is JDJULZZIBMZNSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-10(24-17(23)12-3-2-4-13(18)9-12)16(22)20-14-7-5-11(6-8-14)15(19)21/h2-10H,1H3,(H2,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate has a molecular weight of 391.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-bromobenzoate is sourced from PubChem (CID 7959903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).