2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C21H23BrN2O3 — CID 112763208

IUPAC2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C21H23BrN2O3/c22-18-9-3-1-7-16(18)15-27-19-10-4-2-8-17(19)21(26)23-12-6-14-24-13-5-11-20(24)25/h1-4,7-10H,5-6,11-15H2,(H,23,26)
InChIKeyPWXSZQCMDDJTLZ-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.77
Rot. Bonds8

About 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 112763208) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID112763208
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccccc1OCc1ccccc1Br
InChIInChI=1S/C21H23BrN2O3/c22-18-9-3-1-7-16(18)15-27-19-10-4-2-8-17(19)21(26)23-12-6-14-24-13-5-11-20(24)25/h1-4,7-10H,5-6,11-15H2,(H,23,26)
InChIKeyPWXSZQCMDDJTLZ-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 112763208) is 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1ccccc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is PWXSZQCMDDJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c22-18-9-3-1-7-16(18)15-27-19-10-4-2-8-17(19)21(26)23-12-6-14-24-13-5-11-20(24)25/h1-4,7-10H,5-6,11-15H2,(H,23,26).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 431.33 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 112763208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).