2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide

C16H14Cl2N2O2 — CID 2788482

IUPAC2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-11(22-15-8-6-14(18)7-9-15)16(21)20-19-10-12-2-4-13(17)5-3-12/h2-11H,1H3,(H,20,21)
InChIKeyWVTFDWVYOVRJFH-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide (PubChem CID 2788482) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
PubChem CID2788482
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-11(22-15-8-6-14(18)7-9-15)16(21)20-19-10-12-2-4-13(17)5-3-12/h2-11H,1H3,(H,20,21)
InChIKeyWVTFDWVYOVRJFH-UHFFFAOYSA-N
XLogP3.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.91
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-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide (CID 2788482) is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide?
The InChIKey is WVTFDWVYOVRJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-11(22-15-8-6-14(18)7-9-15)16(21)20-19-10-12-2-4-13(17)5-3-12/h2-11H,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide?
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide has a molecular weight of 337.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 2788482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).