N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide

C14H13BrFNOS — CID 62515714

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C14H13BrFNOS/c1-9-3-4-12(16)11(5-9)14(18)17(2)7-10-6-13(15)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyZBPQYIWNEDQSSO-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.23
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide (PubChem CID 62515714) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
PubChem CID62515714
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C14H13BrFNOS/c1-9-3-4-12(16)11(5-9)14(18)17(2)7-10-6-13(15)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyZBPQYIWNEDQSSO-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62661675
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917070
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide (CID 62515714) is N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)Cc2csc(Br)c2)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The InChIKey is ZBPQYIWNEDQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-9-3-4-12(16)11(5-9)14(18)17(2)7-10-6-13(15)19-8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide has a molecular weight of 342.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 62515714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).