(E)-3-(4-chlorophenyl)-N-propylprop-2-enamide

C12H14ClNO — CID 6271841

IUPAC(E)-3-(4-chlorophenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c1-2-9-14-12(15)8-5-10-3-6-11(13)7-4-10/h3-8H,2,9H2,1H3,(H,14,15)/b8-5+
InChIKeyJFLZNEOOZPROPS-VMPITWQZSA-N
MW223.70 g/mol
LogP2.88
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-propylprop-2-enamide (PubChem CID 6271841) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-propylprop-2-enamide
PubChem CID6271841
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(E)-3-(4-chlorophenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c1-2-9-14-12(15)8-5-10-3-6-11(13)7-4-10/h3-8H,2,9H2,1H3,(H,14,15)/b8-5+
InChIKeyJFLZNEOOZPROPS-VMPITWQZSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.88
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)-3-(4-chlorophenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide (CID 6271841) is (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide?
The InChIKey is JFLZNEOOZPROPS-VMPITWQZSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-2-9-14-12(15)8-5-10-3-6-11(13)7-4-10/h3-8H,2,9H2,1H3,(H,14,15)/b8-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-propylprop-2-enamide has a molecular weight of 223.70 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 6271841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).