1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

C16H23ClN2O2 — CID 124685548

IUPAC1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-21-10-8-18-12-16(20)19-9-4-6-14(19)11-13-5-2-3-7-15(13)17/h2-3,5,7,14,18H,4,6,8-12H2,1H3/t14-/m1/s1
InChIKeyVXOZFXCKSDPRJE-CQSZACIVSA-N
MW310.82 g/mol
LogP2.11
Rot. Bonds7

About 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 124685548) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID124685548
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-21-10-8-18-12-16(20)19-9-4-6-14(19)11-13-5-2-3-7-15(13)17/h2-3,5,7,14,18H,4,6,8-12H2,1H3/t14-/m1/s1
InChIKeyVXOZFXCKSDPRJE-CQSZACIVSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119737074
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
2-(cyclopropylmethylamino)-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119758349
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 95350150
[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea
CID 119765951
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 122148242
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937739
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (CID 124685548) is 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is VXOZFXCKSDPRJE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-21-10-8-18-12-16(20)19-9-4-6-14(19)11-13-5-2-3-7-15(13)17/h2-3,5,7,14,18H,4,6,8-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 310.82 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 124685548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).