(E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide

C13H16ClNO — CID 692371

IUPAC(E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c1-3-15(4-2)13(16)10-7-11-5-8-12(14)9-6-11/h5-10H,3-4H2,1-2H3/b10-7+
InChIKeyWBPWCIRTQWZMBD-JXMROGBWSA-N
MW237.73 g/mol
LogP3.22
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide

(E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide (PubChem CID 692371) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide
PubChem CID692371
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c1-3-15(4-2)13(16)10-7-11-5-8-12(14)9-6-11/h5-10H,3-4H2,1-2H3/b10-7+
InChIKeyWBPWCIRTQWZMBD-JXMROGBWSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
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,N-diethylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide (CID 692371) is (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide?
The InChIKey is WBPWCIRTQWZMBD-JXMROGBWSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-15(4-2)13(16)10-7-11-5-8-12(14)9-6-11/h5-10H,3-4H2,1-2H3/b10-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide has a molecular weight of 237.73 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N,N-diethylprop-2-enamide is sourced from PubChem (CID 692371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).