N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide

C14H13BrFNOS — CID 63210432

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)Cc2csc(Br)c2)ccc1F
InChIInChI=1S/C14H13BrFNOS/c1-9-5-11(3-4-12(9)16)14(18)17(2)7-10-6-13(15)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyACUZTSLRLWGVNR-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.23
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide (PubChem CID 63210432) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
PubChem CID63210432
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)Cc2csc(Br)c2)ccc1F
InChIInChI=1S/C14H13BrFNOS/c1-9-5-11(3-4-12(9)16)14(18)17(2)7-10-6-13(15)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyACUZTSLRLWGVNR-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]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
CID 47389178
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917070
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide (CID 63210432) is N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)Cc2csc(Br)c2)ccc1F.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide?
The InChIKey is ACUZTSLRLWGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-9-5-11(3-4-12(9)16)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]-4-fluoro-N,3-dimethylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-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]-4-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 63210432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).