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

C17H21BrN2O2 — CID 2883437

IUPACN-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21BrN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKeyONVMFEWMTPDURR-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.57
Rot. Bonds3

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

N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2883437) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2883437
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC NameN-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21BrN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKeyONVMFEWMTPDURR-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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
1-(4-Bromophenyl)pyrrolidin-2-one
CID 736110
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-bromo-5-(trifluoromethyl)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072551
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
Bromamid
CID 68839
1-cyclohexyl-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2984958
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3161308
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 597131
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
1-(4-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 20109205
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2883437) is N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ONVMFEWMTPDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22).
What are the key properties of N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2883437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).