N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide

C18H20ClNO4 — CID 113102587

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCOc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO4/c1-12-11-13(19)7-8-14(12)24-10-9-20-18(21)17-15(22-2)5-4-6-16(17)23-3/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyDZOSTGPXWOJKIP-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide (PubChem CID 113102587) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
PubChem CID113102587
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCOc1ccc(Cl)cc1C
InChIInChI=1S/C18H20ClNO4/c1-12-11-13(19)7-8-14(12)24-10-9-20-18(21)17-15(22-2)5-4-6-16(17)23-3/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyDZOSTGPXWOJKIP-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

2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 112976514
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2H-triazole-4-carboxamide
CID 166293497
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide (CID 113102587) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCOc1ccc(Cl)cc1C.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is DZOSTGPXWOJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-12-11-13(19)7-8-14(12)24-10-9-20-18(21)17-15(22-2)5-4-6-16(17)23-3/h4-8,11H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide 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 N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113102587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).