2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

C14H16Br2N2O2 — CID 114372812

IUPAC2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Br)C(=O)N1CCCC1
InChIInChI=1S/C14H16Br2N2O2/c1-9(14(20)18-6-2-3-7-18)17-13(19)11-8-10(15)4-5-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyCYHFRBIVEIECFV-UHFFFAOYSA-N
MW404.10 g/mol
LogP2.95
Rot. Bonds3

About 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide

2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 114372812) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID114372812
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Br)C(=O)N1CCCC1
InChIInChI=1S/C14H16Br2N2O2/c1-9(14(20)18-6-2-3-7-18)17-13(19)11-8-10(15)4-5-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyCYHFRBIVEIECFV-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 65307144
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580
5-bromo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
CID 110280533
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
4-hydroxy-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103865363
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103874932
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
2-(2-amino-5-bromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 113408314

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 114372812) is 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(NC(=O)c1cc(Br)ccc1Br)C(=O)N1CCCC1.
What is the InChIKey of 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is CYHFRBIVEIECFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-9(14(20)18-6-2-3-7-18)17-13(19)11-8-10(15)4-5-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 404.10 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 114372812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).