[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate

C19H18BrNO3 — CID 8880448

IUPAC[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C19H18BrNO3/c1-14(21-18(22)16-9-11-17(20)12-10-16)19(23)24-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,21,22)/b8-5+/t14-/m0/s1
InChIKeyHWILZFOSDYAFCA-GPAKFWEMSA-N
MW388.26 g/mol
LogP3.82
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate

[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate (PubChem CID 8880448) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
PubChem CID8880448
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C19H18BrNO3/c1-14(21-18(22)16-9-11-17(20)12-10-16)19(23)24-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,21,22)/b8-5+/t14-/m0/s1
InChIKeyHWILZFOSDYAFCA-GPAKFWEMSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate with MolForge

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Related Compounds

3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 71954616
[(E)-3-phenylprop-2-enyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364237
[(E)-3-(4-bromophenyl)prop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134900413
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
prop-2-enyl 2-benzamidopropanoate
CID 2910482
[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
2-oxopropyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880148
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
CID 23630652
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
propyl 2-benzamidopropanoate
CID 71628004
[(E)-3-phenylprop-2-enyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 7939776

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate (CID 8880448) is [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is HWILZFOSDYAFCA-GPAKFWEMSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-14(21-18(22)16-9-11-17(20)12-10-16)19(23)24-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,21,22)/b8-5+/t14-/m0/s1.
What are the key properties of [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate?
[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 388.26 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 8880448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).