(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide

C21H23BrN2O2 — CID 93017811

IUPAC(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1
InChIInChI=1S/C21H23BrN2O2/c22-19-10-4-8-17(12-19)14-24-15-18(13-20(24)25)21(26)23-11-5-9-16-6-2-1-3-7-16/h1-4,6-8,10,12,18H,5,9,11,13-15H2,(H,23,26)/t18-/m1/s1
InChIKeyPIHPBLCYHKOWAM-GOSISDBHSA-N
MW415.33 g/mol
LogP3.55
Rot. Bonds7

About (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide

(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide (PubChem CID 93017811) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
PubChem CID93017811
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1
InChIInChI=1S/C21H23BrN2O2/c22-19-10-4-8-17(12-19)14-24-15-18(13-20(24)25)21(26)23-11-5-9-16-6-2-1-3-7-16/h1-4,6-8,10,12,18H,5,9,11,13-15H2,(H,23,26)/t18-/m1/s1
InChIKeyPIHPBLCYHKOWAM-GOSISDBHSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017809
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017903
(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93017803
(3S)-1-[(3-bromophenyl)methyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93017804
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
1-[(3-bromophenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109647
(3R)-1-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017753
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
N-[2-(3-chlorophenyl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185316
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide (CID 93017811) is (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide is O=C(NCCCc1ccccc1)[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1.
What is the InChIKey of (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is PIHPBLCYHKOWAM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c22-19-10-4-8-17(12-19)14-24-15-18(13-20(24)25)21(26)23-11-5-9-16-6-2-1-3-7-16/h1-4,6-8,10,12,18H,5,9,11,13-15H2,(H,23,26)/t18-/m1/s1.
What are the key properties of (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 415.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93017811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).