2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide

C20H22Cl2N2O2 — CID 6258918

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
SMILESCCCC/C(=N\NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c1-3-4-10-18(15-8-6-5-7-9-15)23-24-20(25)14(2)26-19-12-11-16(21)13-17(19)22/h5-9,11-14H,3-4,10H2,1-2H3,(H,24,25)/b23-18+
InChIKeyPBLIUAARIMSIQZ-PTGBLXJZSA-N
MW393.31 g/mol
LogP5.47
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide

2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide (PubChem CID 6258918) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
PubChem CID6258918
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
SMILESCCCC/C(=N\NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c1-3-4-10-18(15-8-6-5-7-9-15)23-24-20(25)14(2)26-19-12-11-16(21)13-17(19)22/h5-9,11-14H,3-4,10H2,1-2H3,(H,24,25)/b23-18+
InChIKeyPBLIUAARIMSIQZ-PTGBLXJZSA-N
XLogP5.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.47
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

2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
CID 7114974
ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate
CID 3329057
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide
CID 4139864
N-[[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamothioyl]benzamide
CID 40529986
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4926324
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide (CID 6258918) is 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide is CCCC/C(=N\NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide?
The InChIKey is PBLIUAARIMSIQZ-PTGBLXJZSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-3-4-10-18(15-8-6-5-7-9-15)23-24-20(25)14(2)26-19-12-11-16(21)13-17(19)22/h5-9,11-14H,3-4,10H2,1-2H3,(H,24,25)/b23-18+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide?
2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide has a molecular weight of 393.31 g/mol, XLogP of 5.47, 8 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-[(E)-1-phenylpentylideneamino]propanamide is sourced from PubChem (CID 6258918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).