(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C17H21BrN2O2 — CID 8572465

IUPAC(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1Br
InChIInChI=1S/C17H21BrN2O2/c1-11-8-13(6-7-15(11)18)19-17(22)12-9-16(21)20(10-12)14-4-2-3-5-14/h6-8,12,14H,2-5,9-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyDKKSLBDZJJUKGK-GFCCVEGCSA-N
MW365.27 g/mol
LogP3.49
Rot. Bonds3

About (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 8572465) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID8572465
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1Br
InChIInChI=1S/C17H21BrN2O2/c1-11-8-13(6-7-15(11)18)19-17(22)12-9-16(21)20(10-12)14-4-2-3-5-14/h6-8,12,14H,2-5,9-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyDKKSLBDZJJUKGK-GFCCVEGCSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113182274
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3S)-1-cyclopentyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41079934
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84899063
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 8572465) is (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1Br.
What is the InChIKey of (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DKKSLBDZJJUKGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-11-8-13(6-7-15(11)18)19-17(22)12-9-16(21)20(10-12)14-4-2-3-5-14/h6-8,12,14H,2-5,9-10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8572465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).