2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide

C16H13Cl3N2O2 — CID 19168494

IUPAC2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-10(23-14-6-4-12(17)5-7-14)16(22)21-20-9-11-2-3-13(18)8-15(11)19/h2-10H,1H3,(H,21,22)/b20-9+
InChIKeyRBCNNVBZMBQRSP-AWQFTUOYSA-N
MW371.65 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide

2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide (PubChem CID 19168494) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
PubChem CID19168494
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-10(23-14-6-4-12(17)5-7-14)16(22)21-20-9-11-2-3-13(18)8-15(11)19/h2-10H,1H3,(H,21,22)/b20-9+
InChIKeyRBCNNVBZMBQRSP-AWQFTUOYSA-N
XLogP4.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.56
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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208277
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766938
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
(2S)-2-(4-chlorophenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136766937
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
(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
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide (CID 19168494) is 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide?
The InChIKey is RBCNNVBZMBQRSP-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-10(23-14-6-4-12(17)5-7-14)16(22)21-20-9-11-2-3-13(18)8-15(11)19/h2-10H,1H3,(H,21,22)/b20-9+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide?
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide has a molecular weight of 371.65 g/mol, XLogP of 4.56, 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-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 19168494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).