2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate

C19H17Cl2NO4 — CID 7554951

IUPAC2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2NO4/c1-13(23)22-17(11-14-5-3-2-4-6-14)19(24)26-10-9-25-18-8-7-15(20)12-16(18)21/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b17-11-
InChIKeyPYPJHKHPGZKPNF-BOPFTXTBSA-N
MW394.25 g/mol
LogP4.09
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate

2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7554951) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7554951
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2NO4/c1-13(23)22-17(11-14-5-3-2-4-6-14)19(24)26-10-9-25-18-8-7-15(20)12-16(18)21/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b17-11-
InChIKeyPYPJHKHPGZKPNF-BOPFTXTBSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7554951) is 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is PYPJHKHPGZKPNF-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-13(23)22-17(11-14-5-3-2-4-6-14)19(24)26-10-9-25-18-8-7-15(20)12-16(18)21/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b17-11-.
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate?
2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 394.25 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7554951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).