(E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide

C13H15Cl2NO — CID 903207

IUPAC(E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-13(2,3)16-12(17)7-5-9-4-6-10(14)8-11(9)15/h4-8H,1-3H3,(H,16,17)/b7-5+
InChIKeyIPRIZFURAUFMHM-FNORWQNLSA-N
MW272.18 g/mol
LogP3.92
Rot. Bonds2

About (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 903207) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID903207
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name(E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO/c1-13(2,3)16-12(17)7-5-9-4-6-10(14)8-11(9)15/h4-8H,1-3H3,(H,16,17)/b7-5+
InChIKeyIPRIZFURAUFMHM-FNORWQNLSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide (CID 903207) is (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide is CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is IPRIZFURAUFMHM-FNORWQNLSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-13(2,3)16-12(17)7-5-9-4-6-10(14)8-11(9)15/h4-8H,1-3H3,(H,16,17)/b7-5+.
What are the key properties of (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 272.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).