2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide

C18H20ClNO4 — CID 86574521

IUPAC2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(Cl)c(C(=O)NCCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-12-5-4-6-13(9-12)24-8-7-20-18(21)14-10-16(22-2)17(23-3)11-15(14)19/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyURCNYZSNMDWALC-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.47
Rot. Bonds7

About 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide

2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 86574521) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID86574521
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(Cl)c(C(=O)NCCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-12-5-4-6-13(9-12)24-8-7-20-18(21)14-10-16(22-2)17(23-3)11-15(14)19/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyURCNYZSNMDWALC-UHFFFAOYSA-N
XLogP3.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.47
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

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 86574521) is 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide is COc1cc(Cl)c(C(=O)NCCOc2cccc(C)c2)cc1OC.
What is the InChIKey of 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is URCNYZSNMDWALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-12-5-4-6-13(9-12)24-8-7-20-18(21)14-10-16(22-2)17(23-3)11-15(14)19/h4-6,9-11H,7-8H2,1-3H3,(H,20,21).
What are the key properties of 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 349.81 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 86574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).