(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide

C18H20ClNO4 — CID 890913

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClNO4/c1-11-9-14(5-7-15(11)19)24-12(2)18(21)20-16-10-13(22-3)6-8-17(16)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyUQTHMWNVVGTRPJ-GFCCVEGCSA-N
MW349.81 g/mol
LogP4.07
Rot. Bonds6

About (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 890913) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID890913
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClNO4/c1-11-9-14(5-7-15(11)19)24-12(2)18(21)20-16-10-13(22-3)6-8-17(16)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyUQTHMWNVVGTRPJ-GFCCVEGCSA-N
XLogP4.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87025364
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 78760166
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide (CID 890913) is (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is UQTHMWNVVGTRPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11-9-14(5-7-15(11)19)24-12(2)18(21)20-16-10-13(22-3)6-8-17(16)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 349.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 890913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).