2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide

C17H18ClNO4 — CID 4319209

IUPAC2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-10-13(21-2)7-8-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyJFXRTDFFLJQBIX-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide

2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 4319209) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID4319209
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-10-13(21-2)7-8-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyJFXRTDFFLJQBIX-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 78760166
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide (CID 4319209) is 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is JFXRTDFFLJQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-10-13(21-2)7-8-16(15)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 335.79 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 4319209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).