(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide

C16H19Cl2NO2 — CID 155562022

IUPAC(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO2/c1-3-9-19(10-4-2)16(21)8-7-15(20)13-6-5-12(17)11-14(13)18/h5-8,11H,3-4,9-10H2,1-2H3/b8-7+
InChIKeyKWKJAQWONMQVFD-BQYQJAHWSA-N
MW328.24 g/mol
LogP4.38
Rot. Bonds7

About (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide

(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide (PubChem CID 155562022) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
PubChem CID155562022
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO2/c1-3-9-19(10-4-2)16(21)8-7-15(20)13-6-5-12(17)11-14(13)18/h5-8,11H,3-4,9-10H2,1-2H3/b8-7+
InChIKeyKWKJAQWONMQVFD-BQYQJAHWSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
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)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide (CID 155562022) is (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide is CCCN(CCC)C(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The InChIKey is KWKJAQWONMQVFD-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-3-9-19(10-4-2)16(21)8-7-15(20)13-6-5-12(17)11-14(13)18/h5-8,11H,3-4,9-10H2,1-2H3/b8-7+.
What are the key properties of (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
(E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide has a molecular weight of 328.24 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-dichlorophenyl)-4-oxo-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 155562022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).