3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide

C20H24ClNO4 — CID 31326626

IUPAC3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-4-9-26-19-17(21)12-15(13-18(19)24-3)20(23)22-8-10-25-16-7-5-6-14(2)11-16/h5-7,11-13H,4,8-10H2,1-3H3,(H,22,23)
InChIKeyNSRRHHOXSMWAEA-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.25
Rot. Bonds9

About 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide (PubChem CID 31326626) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
PubChem CID31326626
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-4-9-26-19-17(21)12-15(13-18(19)24-3)20(23)22-8-10-25-16-7-5-6-14(2)11-16/h5-7,11-13H,4,8-10H2,1-3H3,(H,22,23)
InChIKeyNSRRHHOXSMWAEA-UHFFFAOYSA-N
XLogP4.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
CID 43067046
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371909
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide (CID 31326626) is 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCCOc2cccc(C)c2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide?
The InChIKey is NSRRHHOXSMWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-4-9-26-19-17(21)12-15(13-18(19)24-3)20(23)22-8-10-25-16-7-5-6-14(2)11-16/h5-7,11-13H,4,8-10H2,1-3H3,(H,22,23).
What are the key properties of 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide has a molecular weight of 377.87 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide is sourced from PubChem (CID 31326626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).