(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide

C12H14ClNO2 — CID 6434093

IUPAC(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
SMILESCN(CCO)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-14(8-9-15)12(16)7-4-10-2-5-11(13)6-3-10/h2-7,15H,8-9H2,1H3/b7-4+
InChIKeyLMCJHYMZRDFIKR-QPJJXVBHSA-N
MW239.70 g/mol
LogP1.80
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide (PubChem CID 6434093) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
PubChem CID6434093
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
SMILESCN(CCO)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-14(8-9-15)12(16)7-4-10-2-5-11(13)6-3-10/h2-7,15H,8-9H2,1H3/b7-4+
InChIKeyLMCJHYMZRDFIKR-QPJJXVBHSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide (CID 6434093) is (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide is CN(CCO)C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The InChIKey is LMCJHYMZRDFIKR-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-14(8-9-15)12(16)7-4-10-2-5-11(13)6-3-10/h2-7,15H,8-9H2,1H3/b7-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide has a molecular weight of 239.70 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 6434093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).