[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

C19H19BrFNO3 — CID 7758916

IUPAC[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCC[C@@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrFNO3/c1-2-17(14-5-7-15(20)8-6-14)22-18(23)12-25-19(24)11-13-3-9-16(21)10-4-13/h3-10,17H,2,11-12H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyQEOZWKASTONNLY-QGZVFWFLSA-N
MW408.27 g/mol
LogP3.94
Rot. Bonds7

About [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7758916) has the molecular formula C19H19BrFNO3 and a molecular weight of 408.27 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID7758916
Molecular FormulaC19H19BrFNO3
Molecular Weight408.27 g/mol
Exact Mass407.05
IUPAC Name[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCC[C@@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrFNO3/c1-2-17(14-5-7-15(20)8-6-14)22-18(23)12-25-19(24)11-13-3-9-16(21)10-4-13/h3-10,17H,2,11-12H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyQEOZWKASTONNLY-QGZVFWFLSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904431
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791342
N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
CID 46448423
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011202
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
CID 8802046
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342663
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518443
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518426
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-fluorophenyl)acetate
CID 7758905

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 7758916) is [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is CC[C@@H](NC(=O)COC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is QEOZWKASTONNLY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19BrFNO3/c1-2-17(14-5-7-15(20)8-6-14)22-18(23)12-25-19(24)11-13-3-9-16(21)10-4-13/h3-10,17H,2,11-12H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 408.27 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7758916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).