N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C14H19ClN2O2 — CID 55064418

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(CO)C1)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)7-16-14(19)9-17-6-5-11(8-17)10-18/h1-4,11,18H,5-10H2,(H,16,19)
InChIKeyMHNMXIBMRNKOSI-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.27
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 55064418) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID55064418
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(CO)C1)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)7-16-14(19)9-17-6-5-11(8-17)10-18/h1-4,11,18H,5-10H2,(H,16,19)
InChIKeyMHNMXIBMRNKOSI-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 62062007
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171335089
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111750125
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 55064418) is N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(CO)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is MHNMXIBMRNKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)7-16-14(19)9-17-6-5-11(8-17)10-18/h1-4,11,18H,5-10H2,(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55064418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).