2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide

C13H15BrFNO2 — CID 43611231

IUPAC2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)C1CCOCC1
InChIInChI=1S/C13H15BrFNO2/c1-16(10-4-6-18-7-5-10)13(17)11-3-2-9(15)8-12(11)14/h2-3,8,10H,4-7H2,1H3
InChIKeyUVRVSYGAIOSZBA-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.84
Rot. Bonds2

About 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide

2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 43611231) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID43611231
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)C1CCOCC1
InChIInChI=1S/C13H15BrFNO2/c1-16(10-4-6-18-7-5-10)13(17)11-3-2-9(15)8-12(11)14/h2-3,8,10H,4-7H2,1H3
InChIKeyUVRVSYGAIOSZBA-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 43243374
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
4-fluoro-2-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 107907567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide (CID 43611231) is 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1ccc(F)cc1Br)C1CCOCC1.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is UVRVSYGAIOSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-16(10-4-6-18-7-5-10)13(17)11-3-2-9(15)8-12(11)14/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 43611231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).