2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide

C16H15BrFNO — CID 24693167

IUPAC2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C16H15BrFNO/c1-3-11-6-4-5-10(2)15(11)19-16(20)13-9-12(18)7-8-14(13)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyXOXJHTBDURUXKM-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.71
Rot. Bonds3

About 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide

2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide (PubChem CID 24693167) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
PubChem CID24693167
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C16H15BrFNO/c1-3-11-6-4-5-10(2)15(11)19-16(20)13-9-12(18)7-8-14(13)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyXOXJHTBDURUXKM-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
2,5-dibromo-N-(2,6-diethylphenyl)benzamide
CID 114369798
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 110858010
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide (CID 24693167) is 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide is CCc1cccc(C)c1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide?
The InChIKey is XOXJHTBDURUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-3-11-6-4-5-10(2)15(11)19-16(20)13-9-12(18)7-8-14(13)17/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide?
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 24693167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).