2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide

C13H15BrFNO2 — CID 113322134

IUPAC2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccc(F)cc2Br)CCOCC1
InChIInChI=1S/C13H15BrFNO2/c1-13(4-6-18-7-5-13)16-12(17)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyQDKSBKMEOYJLGZ-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.89
Rot. Bonds2

About 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide

2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide (PubChem CID 113322134) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
PubChem CID113322134
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccc(F)cc2Br)CCOCC1
InChIInChI=1S/C13H15BrFNO2/c1-13(4-6-18-7-5-13)16-12(17)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyQDKSBKMEOYJLGZ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide (CID 113322134) is 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2ccc(F)cc2Br)CCOCC1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is QDKSBKMEOYJLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-13(4-6-18-7-5-13)16-12(17)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide?
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 113322134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).