(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C14H17BrN2O2 — CID 97084480

IUPAC(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)c1cc(Br)ccc1NC(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C14H17BrN2O2/c1-8(2)11-6-10(15)3-4-12(11)17-14(19)9-5-13(18)16-7-9/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeySWYROBYNJYJRMD-VIFPVBQESA-N
MW325.21 g/mol
LogP2.65
Rot. Bonds3

About (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97084480) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97084480
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)c1cc(Br)ccc1NC(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C14H17BrN2O2/c1-8(2)11-6-10(15)3-4-12(11)17-14(19)9-5-13(18)16-7-9/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeySWYROBYNJYJRMD-VIFPVBQESA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86783977
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982066
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191905
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
4-[(4-bromo-2-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088195
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97084480) is (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(C)c1cc(Br)ccc1NC(=O)[C@@H]1CNC(=O)C1.
What is the InChIKey of (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SWYROBYNJYJRMD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8(2)11-6-10(15)3-4-12(11)17-14(19)9-5-13(18)16-7-9/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,18)(H,17,19)/t9-/m0/s1.
What are the key properties of (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97084480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).