3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one

C15H15BrClNOS — CID 62642965

IUPAC3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)Cc1cc(Br)cs1
InChIInChI=1S/C15H15BrClNOS/c1-18(9-12-8-11(16)10-20-12)7-6-15(19)13-4-2-3-5-14(13)17/h2-5,8,10H,6-7,9H2,1H3
InChIKeyXBGMTGLKEUIPDX-UHFFFAOYSA-N
MW372.72 g/mol
LogP4.87
Rot. Bonds6

About 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one

3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one (PubChem CID 62642965) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
PubChem CID62642965
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)Cc1cc(Br)cs1
InChIInChI=1S/C15H15BrClNOS/c1-18(9-12-8-11(16)10-20-12)7-6-15(19)13-4-2-3-5-14(13)17/h2-5,8,10H,6-7,9H2,1H3
InChIKeyXBGMTGLKEUIPDX-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-methylphenyl)propan-1-one
CID 62629185
3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 63493359
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411
N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 55742593
3-[(4-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76910166
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone
CID 62052681
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63566486
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylprop-2-ynamide
CID 54984428
1-(2-chlorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-one
CID 79489640

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one (CID 62642965) is 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one is CN(CCC(=O)c1ccccc1Cl)Cc1cc(Br)cs1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
The InChIKey is XBGMTGLKEUIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-18(9-12-8-11(16)10-20-12)7-6-15(19)13-4-2-3-5-14(13)17/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one has a molecular weight of 372.72 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one is sourced from PubChem (CID 62642965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).