2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C14H13BrFNOS — CID 115678760

IUPAC2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2c(F)cccc2Br)s1
InChIInChI=1S/C14H13BrFNOS/c1-8-6-7-12(19-8)9(2)17-14(18)13-10(15)4-3-5-11(13)16/h3-7,9H,1-2H3,(H,17,18)
InChIKeyOKWGVGUIIZAGQB-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.45
Rot. Bonds3

About 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 115678760) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID115678760
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2c(F)cccc2Br)s1
InChIInChI=1S/C14H13BrFNOS/c1-8-6-7-12(19-8)9(2)17-14(18)13-10(15)4-3-5-11(13)16/h3-7,9H,1-2H3,(H,17,18)
InChIKeyOKWGVGUIIZAGQB-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
CID 115678186
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
5-amino-2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471686
2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471804
3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 94204034
2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
CID 115678854
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471765

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 115678760) is 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2c(F)cccc2Br)s1.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is OKWGVGUIIZAGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-8-6-7-12(19-8)9(2)17-14(18)13-10(15)4-3-5-11(13)16/h3-7,9H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 342.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 115678760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).