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

C14H12BrCl2NOS — CID 63566489

IUPAC2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(Cl)cc1Cl)Cc1csc(Br)c1
InChIInChI=1S/C14H12BrCl2NOS/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
InChIKeyQBYMPSMYBFGTIP-UHFFFAOYSA-N
MW393.13 g/mol
LogP5.13
Rot. Bonds5

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

2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone (PubChem CID 63566489) has the molecular formula C14H12BrCl2NOS and a molecular weight of 393.13 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
PubChem CID63566489
Molecular FormulaC14H12BrCl2NOS
Molecular Weight393.13 g/mol
Exact Mass390.92
IUPAC Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(Cl)cc1Cl)Cc1csc(Br)c1
InChIInChI=1S/C14H12BrCl2NOS/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
InChIKeyQBYMPSMYBFGTIP-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.13
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)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-difluorophenyl)ethanone
CID 62037157
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone
CID 62037739
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62037153
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
2-[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]phenyl]propanoic acid
CID 105345828
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-5-sulfanylbenzamide
CID 107025971

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone (CID 63566489) is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone is CN(CC(=O)c1ccc(Cl)cc1Cl)Cc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is QBYMPSMYBFGTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NOS/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-dichlorophenyl)ethanone?
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 393.13 g/mol, XLogP of 5.13, 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-dichlorophenyl)ethanone is sourced from PubChem (CID 63566489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).