2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide

C17H17Cl2NO3 — CID 78795831

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO3/c18-13-7-6-12(15(19)10-13)11-23-16-5-2-1-4-14(16)17(22)20-8-3-9-21/h1-2,4-7,10,21H,3,8-9,11H2,(H,20,22)
InChIKeyOZJQXLNGIULDIA-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.68
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide (PubChem CID 78795831) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
PubChem CID78795831
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO3/c18-13-7-6-12(15(19)10-13)11-23-16-5-2-1-4-14(16)17(22)20-8-3-9-21/h1-2,4-7,10,21H,3,8-9,11H2,(H,20,22)
InChIKeyOZJQXLNGIULDIA-UHFFFAOYSA-N
XLogP3.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 8559595
2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide
CID 56558388
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2594087
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide (CID 78795831) is 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide is O=C(NCCCO)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide?
The InChIKey is OZJQXLNGIULDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c18-13-7-6-12(15(19)10-13)11-23-16-5-2-1-4-14(16)17(22)20-8-3-9-21/h1-2,4-7,10,21H,3,8-9,11H2,(H,20,22).
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide has a molecular weight of 354.23 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 78795831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).