2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide

C12H14BrFN2O — CID 107422756

IUPAC2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCC1(NC(=O)c2c(F)cccc2Br)CCNC1
InChIInChI=1S/C12H14BrFN2O/c1-12(5-6-15-7-12)16-11(17)10-8(13)3-2-4-9(10)14/h2-4,15H,5-7H2,1H3,(H,16,17)
InChIKeyBZOFKRHBWNSGHN-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.07
Rot. Bonds2

About 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide

2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide (PubChem CID 107422756) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
PubChem CID107422756
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCC1(NC(=O)c2c(F)cccc2Br)CCNC1
InChIInChI=1S/C12H14BrFN2O/c1-12(5-6-15-7-12)16-11(17)10-8(13)3-2-4-9(10)14/h2-4,15H,5-7H2,1H3,(H,16,17)
InChIKeyBZOFKRHBWNSGHN-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
CID 107422643
2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
CID 114561143
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
3-hydroxy-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107423037
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422979
(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113257009
N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide (CID 107422756) is 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide is CC1(NC(=O)c2c(F)cccc2Br)CCNC1.
What is the InChIKey of 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide?
The InChIKey is BZOFKRHBWNSGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-12(5-6-15-7-12)16-11(17)10-8(13)3-2-4-9(10)14/h2-4,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide?
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide has a molecular weight of 301.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107422756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).