2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone

C14H12BrF2NOS — CID 62037157

IUPAC2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)Cc1csc(Br)c1
InChIInChI=1S/C14H12BrF2NOS/c1-18(6-9-4-14(15)20-8-9)7-13(19)11-3-2-10(16)5-12(11)17/h2-5,8H,6-7H2,1H3
InChIKeyKLJPFCGRYMKAKP-UHFFFAOYSA-N
MW360.22 g/mol
LogP4.10
Rot. Bonds5

About 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone

2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone (PubChem CID 62037157) has the molecular formula C14H12BrF2NOS and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone
PubChem CID62037157
Molecular FormulaC14H12BrF2NOS
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)Cc1csc(Br)c1
InChIInChI=1S/C14H12BrF2NOS/c1-18(6-9-4-14(15)20-8-9)7-13(19)11-3-2-10(16)5-12(11)17/h2-5,8H,6-7H2,1H3
InChIKeyKLJPFCGRYMKAKP-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
CID 63566489
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone
CID 62037739
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-fluorophenyl]ethanone
CID 54982109
4-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one
CID 62035991
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-fluorobenzaldehyde
CID 54982394
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62037153
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
1-[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 62035798
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994242

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone (CID 62037157) is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone is CN(CC(=O)c1ccc(F)cc1F)Cc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone?
The InChIKey is KLJPFCGRYMKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NOS/c1-18(6-9-4-14(15)20-8-9)7-13(19)11-3-2-10(16)5-12(11)17/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone?
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone has a molecular weight of 360.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 62037157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).