2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C12H12BrFN2O2 — CID 114164962

IUPAC2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(F)c2Br)C1=O
InChIInChI=1S/C12H12BrFN2O2/c1-16-6-5-9(12(16)18)15-11(17)7-3-2-4-8(14)10(7)13/h2-4,9H,5-6H2,1H3,(H,15,17)
InChIKeyHTYHSEYJHOUKNP-UHFFFAOYSA-N
MW315.14 g/mol
LogP1.55
Rot. Bonds2

About 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 114164962) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID114164962
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Name2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(F)c2Br)C1=O
InChIInChI=1S/C12H12BrFN2O2/c1-16-6-5-9(12(16)18)15-11(17)7-3-2-4-8(14)10(7)13/h2-4,9H,5-6H2,1H3,(H,15,17)
InChIKeyHTYHSEYJHOUKNP-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 103765338
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(propylamino)benzamide
CID 106257709
3-amino-2-ethoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249454
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
2-(2-methoxyanilino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 124625314
2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
CID 99840815
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 114194096
4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
CID 103799877
2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
CID 53384965

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 114164962) is 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2cccc(F)c2Br)C1=O.
What is the InChIKey of 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is HTYHSEYJHOUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c1-16-6-5-9(12(16)18)15-11(17)7-3-2-4-8(14)10(7)13/h2-4,9H,5-6H2,1H3,(H,15,17).
What are the key properties of 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 315.14 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 114164962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).