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

C18H19Cl2NO3 — CID 8815252

IUPAC3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2NO3/c1-23-9-3-8-21-18(22)14-4-2-5-15(11-14)24-12-13-6-7-16(19)17(20)10-13/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,21,22)
InChIKeySPRKCTICNNMZDI-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.34
Rot. Bonds8

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

3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide (PubChem CID 8815252) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
PubChem CID8815252
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2NO3/c1-23-9-3-8-21-18(22)14-4-2-5-15(11-14)24-12-13-6-7-16(19)17(20)10-13/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,21,22)
InChIKeySPRKCTICNNMZDI-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
CID 8815091
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide (CID 8815252) is 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide?
The InChIKey is SPRKCTICNNMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-23-9-3-8-21-18(22)14-4-2-5-15(11-14)24-12-13-6-7-16(19)17(20)10-13/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,21,22).
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide?
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide has a molecular weight of 368.26 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 8815252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).