5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide

C15H19BrN2O2 — CID 107909776

IUPAC5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C15H19BrN2O2/c16-10-4-3-8-14(19)17-12-6-1-2-7-13(12)18-11-5-9-15(18)20/h1-2,6-7H,3-5,8-11H2,(H,17,19)
InChIKeySIDKJQHWQASETI-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.32
Rot. Bonds6

About 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide

5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide (PubChem CID 107909776) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
PubChem CID107909776
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C15H19BrN2O2/c16-10-4-3-8-14(19)17-12-6-1-2-7-13(12)18-11-5-9-15(18)20/h1-2,6-7H,3-5,8-11H2,(H,17,19)
InChIKeySIDKJQHWQASETI-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
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2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
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3-(2-ethoxyphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 26955412
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
CID 76885109
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide (CID 107909776) is 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide is O=C(CCCCBr)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
The InChIKey is SIDKJQHWQASETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-10-4-3-8-14(19)17-12-6-1-2-7-13(12)18-11-5-9-15(18)20/h1-2,6-7H,3-5,8-11H2,(H,17,19).
What are the key properties of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide has a molecular weight of 339.23 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 107909776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).