(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

C17H23ClN2O3 — CID 42618101

IUPAC(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-23-12-10-19-17(22)15-3-2-11-20(15)16(21)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyUZOMAOMMOMWWOF-HNNXBMFYSA-N
MW338.84 g/mol
LogP2.03
Rot. Bonds7

About (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 42618101) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID42618101
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3/c1-23-12-10-19-17(22)15-3-2-11-20(15)16(21)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyUZOMAOMMOMWWOF-HNNXBMFYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.03
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-Phenylacetyl)-L-prolylglycine ethy ester
CID 180496
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
N~1~-[2-(1-Azepanyl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 2233784
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24758047
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide
CID 24758406
(2S)-N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864950
Cebaracetam
CID 65919
Proline scaffold, 27
CID 42618124
1-((2R)-2-aminobutanoyl)-N-(3-chlorobenzyl)-L-prolinamide
CID 25113126
m-Chlorobenzylamide, 1
CID 44237080
ethyl 4-{N-[(4-chlorophenyl)acetyl]glycyl}-1-piperazinecarboxylate
CID 2976929
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 3429042

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 42618101) is (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is UZOMAOMMOMWWOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-23-12-10-19-17(22)15-3-2-11-20(15)16(21)9-6-13-4-7-14(18)8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
(2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-chlorophenyl)propanoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42618101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).