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

C20H23Cl2NO3 — CID 7964266

IUPAC4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C20H23Cl2NO3/c1-3-4-5-10-23-20(24)14-7-9-18(19(11-14)25-2)26-13-15-6-8-16(21)12-17(15)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,24)
InChIKeyXDOXISPFJPPVRS-UHFFFAOYSA-N
MW396.31 g/mol
LogP5.50
Rot. Bonds9

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

4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide (PubChem CID 7964266) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
PubChem CID7964266
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C20H23Cl2NO3/c1-3-4-5-10-23-20(24)14-7-9-18(19(11-14)25-2)26-13-15-6-8-16(21)12-17(15)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,24)
InChIKeyXDOXISPFJPPVRS-UHFFFAOYSA-N
XLogP5.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.50
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

3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4716681
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331190
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-morpholin-4-ylbenzamide
CID 9113306
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936
2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263675
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide (CID 7964266) is 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide is CCCCCNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide?
The InChIKey is XDOXISPFJPPVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-3-4-5-10-23-20(24)14-7-9-18(19(11-14)25-2)26-13-15-6-8-16(21)12-17(15)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide?
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide has a molecular weight of 396.31 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide is sourced from PubChem (CID 7964266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).