3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate

C19H18ClNO3 — CID 71954616

IUPAC3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C19H18ClNO3/c1-14(21-18(22)16-11-5-6-12-17(16)20)19(23)24-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,21,22)
InChIKeyRIXKIACOQLMAHW-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.71
Rot. Bonds6

About 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate

3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 71954616) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID71954616
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C19H18ClNO3/c1-14(21-18(22)16-11-5-6-12-17(16)20)19(23)24-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,21,22)
InChIKeyRIXKIACOQLMAHW-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880448
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
4-methylpentyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 91716474
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575810
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 41080941
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570853
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570855
[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570838

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate (CID 71954616) is 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate is CC(NC(=O)c1ccccc1Cl)C(=O)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is RIXKIACOQLMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-14(21-18(22)16-11-5-6-12-17(16)20)19(23)24-13-7-10-15-8-3-2-4-9-15/h2-12,14H,13H2,1H3,(H,21,22).
What are the key properties of 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate?
3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 343.81 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl 2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 71954616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).