2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone

C14H13Br2NOS — CID 62036527

IUPAC2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)Cc1cccc(Br)c1
InChIInChI=1S/C14H13Br2NOS/c1-17(8-10-3-2-4-11(15)7-10)9-12(18)13-5-6-14(16)19-13/h2-7H,8-9H2,1H3
InChIKeySGUOATGDRQZHOI-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.59
Rot. Bonds5

About 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone

2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone (PubChem CID 62036527) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
PubChem CID62036527
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)Cc1cccc(Br)c1
InChIInChI=1S/C14H13Br2NOS/c1-17(8-10-3-2-4-11(15)7-10)9-12(18)13-5-6-14(16)19-13/h2-7H,8-9H2,1H3
InChIKeySGUOATGDRQZHOI-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952
1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 62029604
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone (CID 62036527) is 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone is CN(CC(=O)c1ccc(Br)s1)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone?
The InChIKey is SGUOATGDRQZHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-17(8-10-3-2-4-11(15)7-10)9-12(18)13-5-6-14(16)19-13/h2-7H,8-9H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone?
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone has a molecular weight of 403.14 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 62036527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).