N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C15H19BrN2O3 — CID 53181899

IUPACN-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccccc2Br)CC1=O
InChIInChI=1S/C15H19BrN2O3/c1-21-7-6-18-10-12(8-14(18)19)15(20)17-9-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3,(H,17,20)
InChIKeySBWOJMOQEFOEKY-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.56
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53181899) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53181899
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC NameN-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccccc2Br)CC1=O
InChIInChI=1S/C15H19BrN2O3/c1-21-7-6-18-10-12(8-14(18)19)15(20)17-9-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3,(H,17,20)
InChIKeySBWOJMOQEFOEKY-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 53181899) is N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccccc2Br)CC1=O.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SBWOJMOQEFOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-21-7-6-18-10-12(8-14(18)19)15(20)17-9-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53181899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).