N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C17H21BrN2O2 — CID 2985043

IUPACN-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21BrN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,19,22)
InChIKeyQTQQMTWSQRXVCE-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.57
Rot. Bonds3

About N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2985043) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2985043
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC NameN-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21BrN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,19,22)
InChIKeyQTQQMTWSQRXVCE-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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2985043) is N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1Br)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QTQQMTWSQRXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,19,22).
What are the key properties of N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(2-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-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2985043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).