N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide

C17H22ClN3O2 — CID 95615028

IUPACN'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C17H22ClN3O2/c18-12-4-3-5-13(10-12)19-16(22)17(23)20-14-8-9-21(11-14)15-6-1-2-7-15/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyQEJULGNSHFIIKA-CQSZACIVSA-N
MW335.83 g/mol
LogP2.41
Rot. Bonds3

About N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide

N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide (PubChem CID 95615028) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
PubChem CID95615028
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC NameN'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C17H22ClN3O2/c18-12-4-3-5-13(10-12)19-16(22)17(23)20-14-8-9-21(11-14)15-6-1-2-7-15/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyQEJULGNSHFIIKA-CQSZACIVSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide (CID 95615028) is N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide is O=C(Nc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide?
The InChIKey is QEJULGNSHFIIKA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-12-4-3-5-13(10-12)19-16(22)17(23)20-14-8-9-21(11-14)15-6-1-2-7-15/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide?
N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide has a molecular weight of 335.83 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide is sourced from PubChem (CID 95615028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).