4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide

C19H20Cl2N2O2 — CID 3711585

IUPAC4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
SMILESCC(C=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-14(15-6-3-2-4-7-15)13-22-23-19(24)8-5-11-25-18-10-9-16(20)12-17(18)21/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,24)
InChIKeyUTKRTTKHINQSJI-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.06
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide

4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide (PubChem CID 3711585) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
PubChem CID3711585
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
SMILESCC(C=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-14(15-6-3-2-4-7-15)13-22-23-19(24)8-5-11-25-18-10-9-16(20)12-17(18)21/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,24)
InChIKeyUTKRTTKHINQSJI-UHFFFAOYSA-N
XLogP5.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 3266836
4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
CID 4163359
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135609327
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide (CID 3711585) is 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide is CC(C=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide?
The InChIKey is UTKRTTKHINQSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-14(15-6-3-2-4-7-15)13-22-23-19(24)8-5-11-25-18-10-9-16(20)12-17(18)21/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,24).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide has a molecular weight of 379.29 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide is sourced from PubChem (CID 3711585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).