N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

C15H20Cl2N2O2 — CID 102788769

IUPACN-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1CO
InChIInChI=1S/C15H20Cl2N2O2/c1-10-4-6-19(14(10)9-20)7-5-15(21)18-13-8-11(16)2-3-12(13)17/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,18,21)
InChIKeyXWDCEYAGXAKNDD-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.02
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide

N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (PubChem CID 102788769) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
PubChem CID102788769
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1CO
InChIInChI=1S/C15H20Cl2N2O2/c1-10-4-6-19(14(10)9-20)7-5-15(21)18-13-8-11(16)2-3-12(13)17/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,18,21)
InChIKeyXWDCEYAGXAKNDD-UHFFFAOYSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811
N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777659
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
methyl 2-[3-(2,5-dichloroanilino)-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112807051
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 126819767

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide (CID 102788769) is N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is CC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1CO.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
The InChIKey is XWDCEYAGXAKNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10-4-6-19(14(10)9-20)7-5-15(21)18-13-8-11(16)2-3-12(13)17/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,18,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide has a molecular weight of 331.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 102788769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).