2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide

C18H14Cl2N4O2 — CID 4984952

IUPAC2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cnc2ccccc2n1
InChIInChI=1S/C18H14Cl2N4O2/c1-11(26-17-7-6-12(19)8-14(17)20)18(25)24-22-10-13-9-21-15-4-2-3-5-16(15)23-13/h2-11H,1H3,(H,24,25)
InChIKeyJTVAEZRGXYDHSC-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.85
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide

2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide (PubChem CID 4984952) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
PubChem CID4984952
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cnc2ccccc2n1
InChIInChI=1S/C18H14Cl2N4O2/c1-11(26-17-7-6-12(19)8-14(17)20)18(25)24-22-10-13-9-21-15-4-2-3-5-16(15)23-13/h2-11H,1H3,(H,24,25)
InChIKeyJTVAEZRGXYDHSC-UHFFFAOYSA-N
XLogP3.85
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
CID 4924893
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 41009806
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)propanamide
CID 5097247
(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
CID 1075192
N-propan-2-yl-N'-[(Z)-quinoxalin-2-ylmethylideneamino]oxamide
CID 9352105
(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
CID 5433457
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide (CID 4984952) is 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cnc2ccccc2n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide?
The InChIKey is JTVAEZRGXYDHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-11(26-17-7-6-12(19)8-14(17)20)18(25)24-22-10-13-9-21-15-4-2-3-5-16(15)23-13/h2-11H,1H3,(H,24,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide?
2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide has a molecular weight of 389.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 4984952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).