3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide

C14H15BrN2OS — CID 115380075

IUPAC3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2sccc2Br)c1C
InChIInChI=1S/C14H15BrN2OS/c1-9-10(14(18)16-2)4-3-5-12(9)17-8-13-11(15)6-7-19-13/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyXPFNULAZMOWGJT-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.79
Rot. Bonds4

About 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide

3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide (PubChem CID 115380075) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
PubChem CID115380075
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2sccc2Br)c1C
InChIInChI=1S/C14H15BrN2OS/c1-9-10(14(18)16-2)4-3-5-12(9)17-8-13-11(15)6-7-19-13/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyXPFNULAZMOWGJT-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 102833523
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
2-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 107112314
N-[(3-bromothiophen-2-yl)methyl]-3-(methylamino)-2-nitrobenzamide
CID 115549297
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
tert-butyl N-[2-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
CID 107240265
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide (CID 115380075) is 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCc2sccc2Br)c1C.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
The InChIKey is XPFNULAZMOWGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-10(14(18)16-2)4-3-5-12(9)17-8-13-11(15)6-7-19-13/h3-7,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 115380075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).