(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

C18H23BrN2O2 — CID 124881184

IUPAC(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(Br)c1
InChIInChI=1S/C18H23BrN2O2/c1-2-20(16-9-5-6-14(19)11-16)18(23)13-10-17(22)21(12-13)15-7-3-4-8-15/h5-6,9,11,13,15H,2-4,7-8,10,12H2,1H3/t13-/m0/s1
InChIKeyRUFCEYUENZNHEF-ZDUSSCGKSA-N
MW379.30 g/mol
LogP3.59
Rot. Bonds4

About (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 124881184) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID124881184
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(Br)c1
InChIInChI=1S/C18H23BrN2O2/c1-2-20(16-9-5-6-14(19)11-16)18(23)13-10-17(22)21(12-13)15-7-3-4-8-15/h5-6,9,11,13,15H,2-4,7-8,10,12H2,1H3/t13-/m0/s1
InChIKeyRUFCEYUENZNHEF-ZDUSSCGKSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 124881184) is (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(Br)c1.
What is the InChIKey of (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RUFCEYUENZNHEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-2-20(16-9-5-6-14(19)11-16)18(23)13-10-17(22)21(12-13)15-7-3-4-8-15/h5-6,9,11,13,15H,2-4,7-8,10,12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-bromophenyl)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124881184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).