3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide

C16H15BrFNO2 — CID 107953613

IUPAC3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1cccc(Br)c1F)c1cc(O)ccc1C
InChIInChI=1S/C16H15BrFNO2/c1-3-19(14-9-11(20)8-7-10(14)2)16(21)12-5-4-6-13(17)15(12)18/h4-9,20H,3H2,1-2H3
InChIKeyMQTOPBWLKMZVDA-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.27
Rot. Bonds3

About 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide

3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide (PubChem CID 107953613) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
PubChem CID107953613
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1cccc(Br)c1F)c1cc(O)ccc1C
InChIInChI=1S/C16H15BrFNO2/c1-3-19(14-9-11(20)8-7-10(14)2)16(21)12-5-4-6-13(17)15(12)18/h4-9,20H,3H2,1-2H3
InChIKeyMQTOPBWLKMZVDA-UHFFFAOYSA-N
XLogP4.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595
5-chloro-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28516961
2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107736855
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 28740049
N-ethyl-N-(5-hydroxy-2-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772781
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide (CID 107953613) is 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide is CCN(C(=O)c1cccc(Br)c1F)c1cc(O)ccc1C.
What is the InChIKey of 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide?
The InChIKey is MQTOPBWLKMZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-3-19(14-9-11(20)8-7-10(14)2)16(21)12-5-4-6-13(17)15(12)18/h4-9,20H,3H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide?
3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide has a molecular weight of 352.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 107953613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).