(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide

C19H19Cl2N3O2 — CID 60553668

IUPAC(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccncc1
InChIInChI=1S/C19H19Cl2N3O2/c1-2-11-24(19(26)6-3-14-7-9-22-10-8-14)13-18(25)23-17-5-4-15(20)12-16(17)21/h3-10,12H,2,11,13H2,1H3,(H,23,25)/b6-3+
InChIKeyVTBFNRBWWQDGBO-ZZXKWVIFSA-N
MW392.29 g/mol
LogP4.28
Rot. Bonds7

About (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide

(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide (PubChem CID 60553668) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide
PubChem CID60553668
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccncc1
InChIInChI=1S/C19H19Cl2N3O2/c1-2-11-24(19(26)6-3-14-7-9-22-10-8-14)13-18(25)23-17-5-4-15(20)12-16(17)21/h3-10,12H,2,11,13H2,1H3,(H,23,25)/b6-3+
InChIKeyVTBFNRBWWQDGBO-ZZXKWVIFSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 2554994
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 55329898
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]prop-1-enyl]benzamide
CID 46558352
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 8960410
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide (CID 60553668) is (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccncc1.
What is the InChIKey of (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide?
The InChIKey is VTBFNRBWWQDGBO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-2-11-24(19(26)6-3-14-7-9-22-10-8-14)13-18(25)23-17-5-4-15(20)12-16(17)21/h3-10,12H,2,11,13H2,1H3,(H,23,25)/b6-3+.
What are the key properties of (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide?
(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide has a molecular weight of 392.29 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 60553668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).