1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone

C14H13BrFNOS — CID 62050577

IUPAC1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1sccc1Br)Cc1cccc(F)c1
InChIInChI=1S/C14H13BrFNOS/c1-17(8-10-3-2-4-11(16)7-10)9-13(18)14-12(15)5-6-19-14/h2-7H,8-9H2,1H3
InChIKeyNCUROJTYYIMVFA-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.96
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone

1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone (PubChem CID 62050577) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
PubChem CID62050577
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1sccc1Br)Cc1cccc(F)c1
InChIInChI=1S/C14H13BrFNOS/c1-17(8-10-3-2-4-11(16)7-10)9-13(18)14-12(15)5-6-19-14/h2-7H,8-9H2,1H3
InChIKeyNCUROJTYYIMVFA-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
(3-fluorophenyl)methyl 3-bromothiophene-2-carboxylate
CID 78902302
3-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63639033
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 63799890
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
3-bromo-N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55993585
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
3-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-methylamino]propanenitrile
CID 62052324
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone (CID 62050577) is 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1sccc1Br)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
The InChIKey is NCUROJTYYIMVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-17(8-10-3-2-4-11(16)7-10)9-13(18)14-12(15)5-6-19-14/h2-7H,8-9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone has a molecular weight of 342.23 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 62050577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).