(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C15H14Cl2N2O2 — CID 881059

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(21-14-5-4-12(16)7-13(14)17)15(20)19-9-11-3-2-6-18-8-11/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyHUQRMEHCCFMOMO-SNVBAGLBSA-N
MW325.19 g/mol
LogP3.47
Rot. Bonds5

About (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 881059) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID881059
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(21-14-5-4-12(16)7-13(14)17)15(20)19-9-11-3-2-6-18-8-11/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyHUQRMEHCCFMOMO-SNVBAGLBSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 46447544
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 881059) is (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HUQRMEHCCFMOMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-10(21-14-5-4-12(16)7-13(14)17)15(20)19-9-11-3-2-6-18-8-11/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 325.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 881059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).