4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide

C13H11BrFNOS — CID 47450227

IUPAC4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C13H11BrFNOS/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyYVSOQHNGYFKLHV-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.89
Rot. Bonds3

About 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide

4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 47450227) has the molecular formula C13H11BrFNOS and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID47450227
Molecular FormulaC13H11BrFNOS
Molecular Weight328.21 g/mol
Exact Mass326.97
IUPAC Name4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C13H11BrFNOS/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyYVSOQHNGYFKLHV-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 47450227) is 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Br)c(F)c2)s1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is YVSOQHNGYFKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNOS/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 328.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 47450227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).