N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C14H18Cl2N2O2 — CID 62372087

IUPACN-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC(CO)C1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-2-1-3-12(16)14(11)17-13(20)5-7-18-6-4-10(8-18)9-19/h1-3,10,19H,4-9H2,(H,17,20)
InChIKeyKNGJGXKVBSQUJZ-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.64
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 62372087) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID62372087
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC(CO)C1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-2-1-3-12(16)14(11)17-13(20)5-7-18-6-4-10(8-18)9-19/h1-3,10,19H,4-9H2,(H,17,20)
InChIKeyKNGJGXKVBSQUJZ-UHFFFAOYSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 65249558
N-(2,6-dichlorophenyl)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanamide
CID 56526318
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 56526817
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 111543866
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
CID 112629319
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60855933
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 62372087) is N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCC(CO)C1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is KNGJGXKVBSQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-2-1-3-12(16)14(11)17-13(20)5-7-18-6-4-10(8-18)9-19/h1-3,10,19H,4-9H2,(H,17,20).
What are the key properties of N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 317.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 62372087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).