N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C16H19ClN4O3 — CID 125170725

IUPACN-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1=O
InChIInChI=1S/C16H19ClN4O3/c1-19-5-6-20(16(19)24)10-14(22)18-12-8-15(23)21(9-12)13-4-2-3-11(17)7-13/h2-4,7,12H,5-6,8-10H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyQUNXSIBLWYIWIR-LBPRGKRZSA-N
MW350.81 g/mol
LogP0.93
Rot. Bonds4

About N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 125170725) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID125170725
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC NameN-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1=O
InChIInChI=1S/C16H19ClN4O3/c1-19-5-6-20(16(19)24)10-14(22)18-12-8-15(23)21(9-12)13-4-2-3-11(17)7-13/h2-4,7,12H,5-6,8-10H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyQUNXSIBLWYIWIR-LBPRGKRZSA-N
XLogP0.93
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
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N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
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N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 125170725) is N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is CN1CCN(CC(=O)N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1=O.
What is the InChIKey of N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is QUNXSIBLWYIWIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-19-5-6-20(16(19)24)10-14(22)18-12-8-15(23)21(9-12)13-4-2-3-11(17)7-13/h2-4,7,12H,5-6,8-10H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 350.81 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 125170725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).