N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide

C15H21ClN2O2 — CID 131905828

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
SMILESCOC1CCN(CC(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-20-14-7-9-18(10-14)11-15(19)17-8-6-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeyODPOCBNBKFRGJR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.72
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide (PubChem CID 131905828) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
PubChem CID131905828
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
SMILESCOC1CCN(CC(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-20-14-7-9-18(10-14)11-15(19)17-8-6-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeyODPOCBNBKFRGJR-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905062
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
CID 103535548
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55551039
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide (CID 131905828) is N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide is COC1CCN(CC(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide?
The InChIKey is ODPOCBNBKFRGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-14-7-9-18(10-14)11-15(19)17-8-6-12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 131905828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).