4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide

C18H18Cl2N2O2 — CID 4169401

IUPAC4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
SMILESCc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-13-5-2-3-6-14(13)12-21-22-18(23)7-4-10-24-17-9-8-15(19)11-16(17)20/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,22,23)
InChIKeyDYCPJWVSFIRHBV-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.61
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide

4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide (PubChem CID 4169401) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
PubChem CID4169401
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
SMILESCc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-13-5-2-3-6-14(13)12-21-22-18(23)7-4-10-24-17-9-8-15(19)11-16(17)20/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,22,23)
InChIKeyDYCPJWVSFIRHBV-UHFFFAOYSA-N
XLogP4.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.61
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

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 3266836
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]butanamide
CID 4272633
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608
4-(2,4-dichlorophenoxy)-N-[(5-ethylthiophen-2-yl)methylideneamino]butanamide
CID 3632931
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135609327
4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
CID 5083065
[4-[[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4636100

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide (CID 4169401) is 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide is Cc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide?
The InChIKey is DYCPJWVSFIRHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-13-5-2-3-6-14(13)12-21-22-18(23)7-4-10-24-17-9-8-15(19)11-16(17)20/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,22,23).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide?
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide has a molecular weight of 365.26 g/mol, XLogP of 4.61, 7 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-methylphenyl)methylideneamino]butanamide is sourced from PubChem (CID 4169401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).