N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C17H20BrClN2O2 — CID 2966799

IUPACN-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H20BrClN2O2/c18-12-6-7-15(14(19)9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)
InChIKeyVRTRRAKKOUGHKC-UHFFFAOYSA-N
MW399.72 g/mol
LogP4.22
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2966799) has the molecular formula C17H20BrClN2O2 and a molecular weight of 399.72 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2966799
Molecular FormulaC17H20BrClN2O2
Molecular Weight399.72 g/mol
Exact Mass398.04
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H20BrClN2O2/c18-12-6-7-15(14(19)9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23)
InChIKeyVRTRRAKKOUGHKC-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.72
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2966799) is N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1Cl)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VRTRRAKKOUGHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2O2/c18-12-6-7-15(14(19)9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h6-7,9,11,13H,1-5,8,10H2,(H,20,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.72 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2966799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).