5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide

C17H18ClNO4 — CID 43009457

IUPAC5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H18ClNO4/c1-21-14-8-7-12(18)11-13(14)17(20)19-9-10-23-16-6-4-3-5-15(16)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyROBYGZPGNZLJHH-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.17
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide (PubChem CID 43009457) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
PubChem CID43009457
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H18ClNO4/c1-21-14-8-7-12(18)11-13(14)17(20)19-9-10-23-16-6-4-3-5-15(16)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyROBYGZPGNZLJHH-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.17
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-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108540827
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803100
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide (CID 43009457) is 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide is COc1ccccc1OCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The InChIKey is ROBYGZPGNZLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-21-14-8-7-12(18)11-13(14)17(20)19-9-10-23-16-6-4-3-5-15(16)22-2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide has a molecular weight of 335.79 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 43009457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).