3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide

C15H19ClFN3O2 — CID 50968405

IUPAC3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H19ClFN3O2/c1-10(21)18-12-4-6-20(9-12)7-5-15(22)19-11-2-3-14(17)13(16)8-11/h2-3,8,12H,4-7,9H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyQLHWFVJZNBYILZ-LBPRGKRZSA-N
MW327.79 g/mol
LogP2.02
Rot. Bonds5

About 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide

3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 50968405) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID50968405
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H19ClFN3O2/c1-10(21)18-12-4-6-20(9-12)7-5-15(22)19-11-2-3-14(17)13(16)8-11/h2-3,8,12H,4-7,9H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyQLHWFVJZNBYILZ-LBPRGKRZSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 772860
1-(3-Chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
CID 2840997
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
CID 2917131
N-(3-chlorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 558417
1-(3-Chloro-4-fluorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2239323
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4976766
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 5305509
N-(4-Chlorophenyl)-4-methyl-1-piperazinepropanamide
CID 574916
1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2926635

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide (CID 50968405) is 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide is CC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is QLHWFVJZNBYILZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c1-10(21)18-12-4-6-20(9-12)7-5-15(22)19-11-2-3-14(17)13(16)8-11/h2-3,8,12H,4-7,9H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide?
3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 327.79 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 50968405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).