N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide

C15H21Cl2N3O — CID 63263797

IUPACN-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
SMILESCNCC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N3O/c1-18-9-11-4-6-20(10-11)7-5-15(21)19-14-8-12(16)2-3-13(14)17/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyZMPQZWJOYFPSPD-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.86
Rot. Bonds6

About N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide

N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide (PubChem CID 63263797) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
PubChem CID63263797
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
SMILESCNCC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N3O/c1-18-9-11-4-6-20(10-11)7-5-15(21)19-14-8-12(16)2-3-13(14)17/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyZMPQZWJOYFPSPD-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
CID 120728374
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
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55081380
N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide
CID 56525983
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide (CID 63263797) is N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide is CNCC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is ZMPQZWJOYFPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-18-9-11-4-6-20(10-11)7-5-15(21)19-14-8-12(16)2-3-13(14)17/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 330.26 g/mol, XLogP of 2.86, 6 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-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 63263797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).