N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide

C17H18ClNO3 — CID 31336337

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-12-3-8-16(21-2)15(11-12)17(20)19-9-10-22-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyXVIHQJCOPWEFRM-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 31336337) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
PubChem CID31336337
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-12-3-8-16(21-2)15(11-12)17(20)19-9-10-22-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyXVIHQJCOPWEFRM-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.47
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

N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803100
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide (CID 31336337) is N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is XVIHQJCOPWEFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-3-8-16(21-2)15(11-12)17(20)19-9-10-22-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 31336337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).