2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide

C16H12Cl2F2N2O2 — CID 4924893

IUPAC2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cccc(F)c1F
InChIInChI=1S/C16H12Cl2F2N2O2/c1-9(24-14-6-5-11(17)7-12(14)18)16(23)22-21-8-10-3-2-4-13(19)15(10)20/h2-9H,1H3,(H,22,23)
InChIKeyPCFZZKSJCZRTIP-UHFFFAOYSA-N
MW373.19 g/mol
LogP4.19
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide

2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide (PubChem CID 4924893) has the molecular formula C16H12Cl2F2N2O2 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
PubChem CID4924893
Molecular FormulaC16H12Cl2F2N2O2
Molecular Weight373.19 g/mol
Exact Mass372.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cccc(F)c1F
InChIInChI=1S/C16H12Cl2F2N2O2/c1-9(24-14-6-5-11(17)7-12(14)18)16(23)22-21-8-10-3-2-4-13(19)15(10)20/h2-9H,1H3,(H,22,23)
InChIKeyPCFZZKSJCZRTIP-UHFFFAOYSA-N
XLogP4.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 41009806
(2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 137081024
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
CID 5433457
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
CID 4984952
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide (CID 4924893) is 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide?
The InChIKey is PCFZZKSJCZRTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2O2/c1-9(24-14-6-5-11(17)7-12(14)18)16(23)22-21-8-10-3-2-4-13(19)15(10)20/h2-9H,1H3,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide?
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide has a molecular weight of 373.19 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 4924893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).