N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H17BrN2O2 — CID 3105210

IUPACN-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccc(Br)c3)CC2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-5-7-16(8-6-12)21-11-13(9-17(21)22)18(23)20-15-4-2-3-14(19)10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23)
InChIKeyFMHZFBRIVJUGBN-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.75
Rot. Bonds3

About N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3105210) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3105210
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccc(Br)c3)CC2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-5-7-16(8-6-12)21-11-13(9-17(21)22)18(23)20-15-4-2-3-14(19)10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23)
InChIKeyFMHZFBRIVJUGBN-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
N-(3-bromo-5-(trifluoromethyl)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072551
1-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856144
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3354062
N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4879485
N-(4-fluorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 16312902
1-(2-Fluorophenyl)-N-(2-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580214
N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 612869
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651502
N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2852720
1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107639

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3105210) is N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cccc(Br)c3)CC2=O)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FMHZFBRIVJUGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-5-7-16(8-6-12)21-11-13(9-17(21)22)18(23)20-15-4-2-3-14(19)10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23).
What are the key properties of N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3105210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).