4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide

C11H10BrFN2O2 — CID 103951495

IUPAC4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(Br)c(F)c2)CN1
InChIInChI=1S/C11H10BrFN2O2/c12-8-2-1-6(3-9(8)13)11(17)15-7-4-10(16)14-5-7/h1-3,7H,4-5H2,(H,14,16)(H,15,17)
InChIKeyCHTPSDLPJLTXHZ-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.21
Rot. Bonds2

About 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide

4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide (PubChem CID 103951495) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
PubChem CID103951495
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(Br)c(F)c2)CN1
InChIInChI=1S/C11H10BrFN2O2/c12-8-2-1-6(3-9(8)13)11(17)15-7-4-10(16)14-5-7/h1-3,7H,4-5H2,(H,14,16)(H,15,17)
InChIKeyCHTPSDLPJLTXHZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106197528
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CID 119386400
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
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4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
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N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide (CID 103951495) is 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide is O=C1CC(NC(=O)c2ccc(Br)c(F)c2)CN1.
What is the InChIKey of 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is CHTPSDLPJLTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c12-8-2-1-6(3-9(8)13)11(17)15-7-4-10(16)14-5-7/h1-3,7H,4-5H2,(H,14,16)(H,15,17).
What are the key properties of 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide?
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 301.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 103951495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).