N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide

C13H16Cl2N2O2 — CID 78962492

IUPACN-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CC[C@H](O)C1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-9-1-2-11(15)12(7-9)16-13(19)4-6-17-5-3-10(18)8-17/h1-2,7,10,18H,3-6,8H2,(H,16,19)/t10-/m0/s1
InChIKeyFTHGYPWRTSRROD-JTQLQIEISA-N
MW303.19 g/mol
LogP2.39
Rot. Bonds4

About N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide

N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 78962492) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID78962492
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CC[C@H](O)C1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-9-1-2-11(15)12(7-9)16-13(19)4-6-17-5-3-10(18)8-17/h1-2,7,10,18H,3-6,8H2,(H,16,19)/t10-/m0/s1
InChIKeyFTHGYPWRTSRROD-JTQLQIEISA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
CID 120728374
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 75834881
N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide
CID 56525983
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 126819767
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (CID 78962492) is N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is O=C(CCN1CC[C@H](O)C1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is FTHGYPWRTSRROD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-1-2-11(15)12(7-9)16-13(19)4-6-17-5-3-10(18)8-17/h1-2,7,10,18H,3-6,8H2,(H,16,19)/t10-/m0/s1.
What are the key properties of N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 303.19 g/mol, XLogP of 2.39, 4 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-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 78962492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).