(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

C15H17Cl2N3O2 — CID 95272121

IUPAC(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C15H17Cl2N3O2/c1-10(22-14-6-12(16)5-13(17)7-14)15(21)18-4-3-11-8-19-20(2)9-11/h5-10H,3-4H2,1-2H3,(H,18,21)/t10-/m0/s1
InChIKeyLRJBIWHMBMSIIS-JTQLQIEISA-N
MW342.23 g/mol
LogP2.85
Rot. Bonds6

About (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 95272121) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID95272121
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C15H17Cl2N3O2/c1-10(22-14-6-12(16)5-13(17)7-14)15(21)18-4-3-11-8-19-20(2)9-11/h5-10H,3-4H2,1-2H3,(H,18,21)/t10-/m0/s1
InChIKeyLRJBIWHMBMSIIS-JTQLQIEISA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
4-[2-(3,5-dichlorophenoxy)propanoylamino]butanoic acid
CID 119170699
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
(2S,3S)-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80688858
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80689102

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (CID 95272121) is (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCc1cnn(C)c1.
What is the InChIKey of (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is LRJBIWHMBMSIIS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-10(22-14-6-12(16)5-13(17)7-14)15(21)18-4-3-11-8-19-20(2)9-11/h5-10H,3-4H2,1-2H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 95272121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).