[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate

C17H16ClNO2 — CID 164678558

IUPAC[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
SMILESO=C(CNc1ccc(Cl)cc1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16ClNO2/c18-15-8-10-16(11-9-15)19-13-17(20)21-12-4-7-14-5-2-1-3-6-14/h1-11,19H,12-13H2/b7-4+
InChIKeyXNODFXGCZVUEGB-QPJJXVBHSA-N
MW301.77 g/mol
LogP4.01
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate

[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate (PubChem CID 164678558) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
PubChem CID164678558
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
SMILESO=C(CNc1ccc(Cl)cc1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H16ClNO2/c18-15-8-10-16(11-9-15)19-13-17(20)21-12-4-7-14-5-2-1-3-6-14/h1-11,19H,12-13H2/b7-4+
InChIKeyXNODFXGCZVUEGB-QPJJXVBHSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
3-phenylprop-2-enyl 2,2,2-trichloroacetate
CID 73178101
4-O-(3-chlorophenyl) 1-O-[(E)-3-phenylprop-2-enyl] butanedioate
CID 91709902
bis(3-phenylprop-2-enyl) 2-hydroxybutanedioate
CID 86005171
2-methoxyethyl 2-(4-chloroanilino)acetate
CID 61302455
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
[(E)-3-phenylprop-2-enyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364237
6-oxo-6-(3-phenylprop-2-enoxy)hexanoic acid
CID 154188751
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
CID 46791465

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate (CID 164678558) is [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate is O=C(CNc1ccc(Cl)cc1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate?
The InChIKey is XNODFXGCZVUEGB-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-8-10-16(11-9-15)19-13-17(20)21-12-4-7-14-5-2-1-3-6-14/h1-11,19H,12-13H2/b7-4+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate?
[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate has a molecular weight of 301.77 g/mol, XLogP of 4.01, 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] 2-(4-chloroanilino)acetate is sourced from PubChem (CID 164678558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).