(E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide

C17H15ClN2O2 — CID 1122474

IUPAC(E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-12(21)19-15-7-9-16(10-8-15)20-17(22)11-4-13-2-5-14(18)6-3-13/h2-11H,1H3,(H,19,21)(H,20,22)/b11-4+
InChIKeyCSWQXBSYDSIUIR-NYYWCZLTSA-N
MW314.77 g/mol
LogP3.95
Rot. Bonds4

About (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 1122474) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID1122474
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-12(21)19-15-7-9-16(10-8-15)20-17(22)11-4-13-2-5-14(18)6-3-13/h2-11H,1H3,(H,19,21)(H,20,22)/b11-4+
InChIKeyCSWQXBSYDSIUIR-NYYWCZLTSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.95
H-Bond Donors ≤ 52
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)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide (CID 1122474) is (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide is CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is CSWQXBSYDSIUIR-NYYWCZLTSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12(21)19-15-7-9-16(10-8-15)20-17(22)11-4-13-2-5-14(18)6-3-13/h2-11H,1H3,(H,19,21)(H,20,22)/b11-4+.
What are the key properties of (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 314.77 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidophenyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 1122474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).