2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide

C15H20Cl2N2O2 — CID 119534233

IUPAC2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC1CCNC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(21-12-2-3-13(16)14(17)8-12)15(20)19-7-5-11-4-6-18-9-11/h2-3,8,10-11,18H,4-7,9H2,1H3,(H,19,20)
InChIKeySFXSBUZCRIVYKU-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.88
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide

2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide (PubChem CID 119534233) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
PubChem CID119534233
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC1CCNC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(21-12-2-3-13(16)14(17)8-12)15(20)19-7-5-11-4-6-18-9-11/h2-3,8,10-11,18H,4-7,9H2,1H3,(H,19,20)
InChIKeySFXSBUZCRIVYKU-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535702
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide (CID 119534233) is 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC1CCNC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The InChIKey is SFXSBUZCRIVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(21-12-2-3-13(16)14(17)8-12)15(20)19-7-5-11-4-6-18-9-11/h2-3,8,10-11,18H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide?
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide has a molecular weight of 331.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide is sourced from PubChem (CID 119534233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).